Starting date and time: Thu Aug 8 15:09:47 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Jul 5 2019 at 10:16:08) run on 20190808 at 150947.941 *** * Using the new style input format... * OpenMP enabled ... * MPI disabled ... * NAG calls disabled ... * FFTW library will be used for FFTs ... * Estimate FFTW plans will be used for FFTs ... * Generic code will be used for diagonalizations ... * Extra check calls enabled ... * The internal timers of module Timers are not used ... * The FFT over R is performed using a single call ... * Full potential energy operation optimization has been enabled... * Potential energy multiplication optimization has been disabled... * Kinetic energy multiplication optimization has been disabled ... * Optimization of the kinetic energy operator routine in Z on the scattering grid has been disabled ... * Setting up global data... * Calculated machines precision: 0.55511151E-16 * Using a maximum number of 32 threads in this run. * Setting up global data... * Preparing module inputfields for reading the input file ... * Trying to read input file "DVR.inp" ... * Input file read OK ... *** THE INPUT PARAMETERS SETUP INTERNALLY BY THE PROGRAM *** * The surface lattice constant in X (bohr): 0.48638932E+01 * The surface lattice constant in Y (bohr): 0.48638932E+01 * The asymptotic value in Z (bohr): 0.15117808E+02 * The cutoff value in r (bohr): 0.10000000E+04 * The unit cell skewing angle (degrees): 0.60000000E+02 * The unit cell point group: C3v NOTE: If the potential switching option is used to switch the potential faster to the gas phase, the Z-value at which the potential first reaches the gas phase, is the new asymptotic Z-value. *** THE INPUT READ *** * Title: v0j7mj0-0.15eV-0.55eV * SystemID: CRPlibrary * NewCalc: T * Z degree of freedom: T * R degree of freedom: T * X degree of freedom: T * Y degree of freedom: T * Theta degree of freedom: T * Phi degree of freedom: T * Mass of atom 1 (amu): 0.10078000E+01 * Mass of atom 2 (amu): 0.10078000E+01 * Homo-nuclear molecule: T * Number of points on the scattering grid in Z: 198 * Step size of the scattering Z (bohr): 0.10000000E+00 * Starting point of the scattering in Z (bohr): -0.10000000E+01 * Number of points on the specular grid in Z: 252 * Number of points on the scattering grid in r: 56 * Step size of the scattering r (bohr): 0.15000000E+00 * Starting point of the scattering in r (bohr): 0.80000000E+00 * Specular grid in r is identical to the scattering grid in r. * Number of points on the scattering grid in X: 20 * Number of points on the scattering grid in Y: 20 * Maximum J value in grid representation.: 25 * Maximum Mj value in grid representation.: 25 * The projection operator scheme used: using two grids all the way * Propagation method used: Split operator * Calculation starts at (aut): 0.00000000E+00 * Calculation ends at (aut): 0.20000000E+05 * Time step used in the propagation (aut): 0.20000000E+01 * Number of time steps taken: 10000 * Only performing a fine analysis: F * Also performing a fine analysis: T * Wave function analysed every (aut): 0.50000000E+02 * Averages printed every (aut): 0.50000000E+02 * Initially using a dynamical specular analysis surface: T * Wave function analysed at (bohr): 0.15200000E+02 * Maximum J analysed: determined by the program (see info Analysis) * Maximum V analysed: determined by the program (see info Analysis) * Maximum diffraction order analysed: determined by the program (see info Analysis) * Number of energies that are on-the-fly analysed: 8 * Lowest energy of the initial wave packet: 0.15000000E+00 * Highest energy of the initial wave packet: 0.55000000E+00 * Average position of the initial wave packet: 0.17400000E+02 * Initial rotational quantum number J: 7 * Initial rotational quantum number Mj: 0 * Initial rotational quantum number V: 0 * Only computing the potential: F * Imposing a minimum value on the potential: F * Imposing a maximum value on the potential: T * Maximum value imposed on the potential: 0.10000000E+02 * Using symmetry in setting up the potential: F * Potential mixing alfa value: 0.00000000E+00 * Using a quadratic optical potential on the scattering grid in Z: * Optical potential in Z start at (bohr): 0.15200000E+02 * Optical potential in Z ends at (bohr): 0.18700000E+02 * Optical potential in Z absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the scattering grid in r: * Optical potential in r start at (bohr): 0.45500000E+01 * Optical potential in r ends at (bohr): 0.90500000E+01 * Optical potential in r absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the specular grid in Z: * Optical potential in Z start at (bohr): 0.19800000E+02 * Optical potential in Z ends at (bohr): 0.24100000E+02 * Optical potential in Z specular absorbs optimally for (eV 0.80000000E-01 * Initial energy parallel to the surface (eV): 0.00000000E+00 * Azimuthal angle of the incident molecule (degrees): 0.00000000E+00 * Using a switching function for the potential in Z: F * Switching function starts at (bohr): 0.65000000E+01 * Switching function ends at (bohr): 0.70000000E+01 * S-matrix elements written to file 3: T * Rot-vib-diff resolved probs written to file 25: T * Rot-diff resolved probs written to file 10: T * Dumping debug information to file: F * Dumping full S-matrix to file fil10: F * Tolerance for transferring the wavefunction (nproj = 2): 0.10000000E-08 * Validating the input... * Processing the input... *** THE INPUT FOR ROTATIONAL DEGREES OF FREEDOM *** * J in: 7 * Mj in: 0 * Maximum J value in grid rep.: 25 * HomeNuclear: T * A general MjIn independant grid will be used ... *** CONTINUING SETUP I *** * Setting up the FFT module ... * Setting up legendre module with JMax + 1 = 26 ... * Setting up the angular grid module with JMax = 25 ... * The nearest size allowed by FFT routines ( 56 ) for phi grid will be used ... * Setting up the angular grid and basis functions... *** THE GRID PARAMETERS *** * Number of phi's : 56 * Delta value in phi coordinate : 0.112199737628207 * Number of theta's : 13 * JMax in basis set : 25 * JMin in basis set : 1 * Delta J in basis set : 2 * Grid has been set up for JIn = 7 , MjIn = 0 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.33855438E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 13 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 144 iz = 148 iz = 145 iz = 152 iz = 149 iz = 156 iz = 146 iz = 153 iz = 160 iz = 150 iz = 157 iz = 143 iz = 154 iz = 161 iz = 158 iz = 162 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_25_25. pes WARNING in routine SetupThePES in module Potential: vdvr contains more indices than can be represented by a four byte integer. Therefore the result of the inquiry 'SIZE(vdvr)' will be wrong! Program continues with dirty trick fix. Beware! * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 Total time setting up the potential = 0.16954470E+04 secs ******************************************************************************** INFO FROM SETTING UP THE ROVIBARIONAL ASYMPTOTIC POTENTIAL ******************************************************************************** The gas phase vibrational potential for Z = 15.1178079086314 r(Bohr) V(eV) --------------------------------------------- 0.800000000000000 -0.614313158203822 0.950000000000000 -3.19102266083849 1.10000000000000 -4.45136825777271 1.25000000000000 -4.99984753548742 1.40000000000000 -5.15222895836725 1.55000000000000 -5.07205461356338 1.70000000000000 -4.85412985260776 1.85000000000000 -4.55365640658986 2.00000000000000 -4.20965954065202 2.15000000000000 -3.84476515750003 2.30000000000000 -3.47295832873381 2.45000000000000 -3.10772368458484 2.60000000000000 -2.75591917705669 2.75000000000000 -2.41910500293411 2.90000000000000 -2.09869395800417 3.05000000000000 -1.79612193194245 3.20000000000000 -1.51285210467923 3.35000000000000 -1.25033926714185 3.50000000000000 -1.00917613430596 3.65000000000000 -0.788439939242043 3.80000000000000 -0.587054085255137 3.95000000000000 -0.403941975650272 4.10000000000000 -0.238027013732485 4.25000000000000 -8.823260280680591E-002 4.40000000000000 -8.846257060213248E-013 4.55000000000000 -8.846257060213248E-013 4.70000000000000 -8.846257060213248E-013 4.85000000000000 -8.846257060213248E-013 5.00000000000000 -8.846257060213248E-013 5.15000000000000 -8.846257060213248E-013 5.30000000000000 -8.846257060213248E-013 5.45000000000000 -8.846257060213248E-013 5.60000000000000 -8.846257060213248E-013 5.75000000000000 -8.846257060213248E-013 5.90000000000000 -8.846257060213248E-013 6.05000000000000 -8.846257060213248E-013 6.20000000000000 -8.846257060213248E-013 6.35000000000000 -8.846257060213248E-013 6.50000000000000 -8.846257060213248E-013 6.65000000000000 -8.846257060213248E-013 6.80000000000000 -8.846257060213248E-013 6.95000000000000 -8.846257060213248E-013 7.10000000000000 -8.846257060213248E-013 7.25000000000000 -8.846257060213248E-013 7.40000000000000 -8.846257060213248E-013 7.55000000000000 -8.846257060213248E-013 7.70000000000000 -8.846257060213248E-013 7.85000000000000 -8.846257060213248E-013 8.00000000000000 -8.846257060213248E-013 8.15000000000000 -8.846257060213248E-013 8.30000000000000 -8.846257060213248E-013 8.45000000000000 -8.846257060213248E-013 8.60000000000000 -8.846257060213248E-013 8.75000000000000 -8.846257060213248E-013 8.90000000000000 -8.846257060213248E-013 9.05000000000000 -8.846257060213248E-013 * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 ******************************************************************************** INFO FROM SETTING UP THE ASYMPTOTIC ROVIBRATIONAL STATES ******************************************************************************** asymptotic molecular vibrational wave functions v j e(ev) erel(ev) psi(1) psi(nr) norm 0 0 -4.886560 -0.389393 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.374921 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.346109 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.303218 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.246626 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 -0.176823 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 -0.094393 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 0.000000 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 0.105629 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.221720 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.347468 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.482052 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.624647 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.774436 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 0.930622 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 1.092428 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.259111 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.429960 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.604301 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.781499 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 1.960955 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.142112 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.324447 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.507475 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.690745 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 2.873837 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 1 0 -4.377131 0.120037 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.133774 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.161123 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.201841 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.255568 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.321844 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.400117 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.489758 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.590077 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.700338 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.819773 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 0.947597 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 1.083021 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.225261 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.373549 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.527142 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.685327 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 1.847426 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 2.012795 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.180827 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.350947 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.522614 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.695315 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 2.868564 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 3.041904 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.214915 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 energy initial v,j state = -4.497167 potential energy = -4.997940 rotational energy = 0.373844 vibrational energy = 0.126929 rovibrational energy = 0.500773 expectation value r = 1.519097 ******************************************************************************** INFO FROM SETTING UP THE DIFFRACTION BASIS ******************************************************************************** WARNING: Diffractional basis too small to describe all open channels! 400 diffraction channels in basis (ndftow) * Number of diffraction states analysed, ndifa = 271 * Highest diffraction order, maxord = 19 * Largest number of diffraction states that belong to the same diffraction order, maxnum = 54 ******************************************************************************** INFO FROM SETTING UP THE ROTATION BASIS ******************************************************************************** 351 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 55 * initial rotational state in basis, ichn = 173 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 14905 * Index of initial rot-dif channel in basis, inchna = 7589 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 10 * Maximum v in analysis: nviba = 2 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.51909677 0.10000000E+01 0.50000000E+02 0.99999999 17.27377086 1.51910328 0.99999998E+00 0.10000000E+03 0.99999997 17.14754172 1.51910988 0.99999995E+00 0.15000000E+03 0.99999996 17.02131258 1.51911097 0.99999979E+00 0.20000000E+03 0.99999994 16.89508344 1.51911064 0.99999852E+00 0.25000000E+03 0.99999993 16.76885430 1.51910928 0.99998982E+00 0.30000000E+03 0.99999991 16.64262516 1.51910374 0.99993928E+00 0.35000000E+03 0.99999990 16.51639602 1.51909728 0.99969720E+00 0.40000000E+03 0.99999989 16.39016687 1.51910212 0.99874786E+00 0.45000000E+03 0.99999987 16.26393773 1.51911063 0.99569670E+00 0.50000000E+03 0.99999986 16.13770858 1.51911134 0.98760718E+00 0.55000000E+03 0.99999984 16.01147941 1.51911033 0.96972254E+00 0.60000000E+03 0.99999983 15.88525016 1.51910874 0.93629614E+00 0.65000000E+03 0.99999982 15.75902072 1.51910394 0.88265990E+00 0.70000000E+03 0.99999980 15.63279086 1.51909801 0.80756267E+00 0.75000000E+03 0.99999979 15.50656013 1.51910108 0.71431857E+00 0.80000000E+03 0.99999977 15.38032789 1.51911102 0.61003002E+00 0.85000000E+03 0.99999976 15.25409318 1.51911191 0.50340984E+00 0.90000000E+03 0.99999974 15.12785481 1.51911005 0.40241934E+00 0.95000000E+03 0.99999973 15.00161134 1.51910821 0.31270928E+00 0.10000000E+04 0.99999972 14.87536121 1.51910400 0.23716175E+00 0.10500000E+04 0.99999970 14.74910281 1.51909869 0.17627132E+00 0.11000000E+04 0.99999969 14.62283452 1.51910060 0.12891002E+00 0.11500000E+04 0.99999967 14.49655481 1.51911059 0.93104762E-01 0.12000000E+04 0.99999966 14.37026219 1.51911326 0.66633374E-01 0.12500000E+04 0.99999964 14.24395526 1.51910962 0.47394712E-01 0.13000000E+04 0.99999963 14.11763263 1.51910835 0.33589145E-01 0.13500000E+04 0.99999962 13.99129292 1.51910496 0.23771128E-01 0.14000000E+04 0.99999960 13.86493462 1.51910121 0.16830006E-01 0.14500000E+04 0.99999959 13.73855613 1.51910403 0.11939071E-01 0.15000000E+04 0.99999957 13.61215562 1.51911588 0.84968626E-02 0.15500000E+04 0.99999956 13.48573101 1.51912406 0.60728900E-02 0.16000000E+04 0.99999954 13.35927991 1.51912437 0.43625363E-02 0.16500000E+04 0.99999953 13.23279954 1.51912952 0.31518925E-02 0.17000000E+04 0.99999952 13.10628678 1.51913577 0.22914451E-02 0.17500000E+04 0.99999950 12.97973807 1.51914373 0.16769327E-02 0.18000000E+04 0.99999949 12.85314945 1.51915936 0.12356811E-02 0.18500000E+04 0.99999947 12.72651658 1.51918607 0.91698040E-03 0.19000000E+04 0.99999946 12.59983474 1.51921318 0.68536702E-03 0.19500000E+04 0.99999944 12.47309892 1.51923293 0.51596029E-03 0.20000000E+04 0.99999943 12.34630383 1.51925724 0.39123496E-03 0.20500000E+04 0.99999942 12.21944394 1.51928715 0.29879166E-03 0.21000000E+04 0.99999940 12.09251357 1.51931772 0.22981298E-03 0.21500000E+04 0.99999939 11.96550689 1.51935661 0.17799612E-03 0.22000000E+04 0.99999937 11.83841794 1.51940515 0.13881054E-03 0.22500000E+04 0.99999936 11.71124071 1.51945546 0.10898064E-03 0.23000000E+04 0.99999935 11.58396909 1.51949757 0.86124825E-04 0.23500000E+04 0.99999933 11.45659690 1.51954036 0.68500092E-04 0.24000000E+04 0.99999932 11.32911792 1.51959050 0.54823621E-04 0.24500000E+04 0.99999930 11.20152587 1.51963985 0.44145434E-04 0.25000000E+04 0.99999929 11.07381444 1.51969512 0.35757827E-04 0.25500000E+04 0.99999927 10.94597730 1.51975876 0.29130478E-04 0.26000000E+04 0.99999926 10.81800811 1.51982416 0.23863712E-04 0.26500000E+04 0.99999925 10.68990062 1.51988108 0.19654371E-04 0.27000000E+04 0.99999923 10.56164867 1.51993590 0.16272141E-04 0.27500000E+04 0.99999922 10.43324630 1.51999875 0.13539888E-04 0.28000000E+04 0.99999920 10.30468785 1.52006287 0.11321362E-04 0.28500000E+04 0.99999919 10.17596806 1.52013027 0.95110212E-05 0.29000000E+04 0.99999917 10.04708224 1.52020790 0.80266662E-05 0.29500000E+04 0.99999916 9.91802644 1.52028786 0.68037263E-05 0.30000000E+04 0.99999915 9.78879766 1.52036284 0.57920194E-05 0.30500000E+04 0.99999913 9.65939406 1.52043519 0.49512560E-05 0.31000000E+04 0.99999912 9.52981528 1.52051848 0.42495803E-05 0.31500000E+04 0.99999910 9.40006271 1.52060959 0.36615464E-05 0.32000000E+04 0.99999909 9.27013981 1.52070589 0.31667584E-05 0.32500000E+04 0.99999907 9.14005256 1.52081813 0.27488087E-05 0.33000000E+04 0.99999906 9.00980977 1.52094098 0.23944318E-05 0.33500000E+04 0.99999904 8.87942366 1.52106815 0.20928414E-05 0.34000000E+04 0.99999903 8.74891022 1.52120286 0.18352308E-05 0.34500000E+04 0.99999901 8.61828984 1.52136015 0.16144023E-05 0.35000000E+04 0.99999900 8.48758783 1.52154388 0.14244730E-05 0.35500000E+04 0.99999899 8.35683498 1.52175097 0.12603815E-05 0.36000000E+04 0.99999897 8.22606825 1.52199309 0.11186039E-05 0.36500000E+04 0.99999895 8.09533132 1.52227404 0.99553052E-06 0.37000000E+04 0.99999894 7.96467534 1.52258765 0.88833671E-06 0.37500000E+04 0.99999892 7.83415950 1.52294178 0.79467415E-06 0.38000000E+04 0.99999891 7.70385173 1.52335185 0.71261241E-06 0.38500000E+04 0.99999889 7.57382932 1.52383051 0.64055821E-06 0.39000000E+04 0.99999887 7.44417949 1.52437536 0.57716709E-06 0.39500000E+04 0.99999886 7.31499993 1.52499662 0.52107294E-06 0.40000000E+04 0.99999884 7.18639929 1.52570392 0.47168431E-06 0.40500000E+04 0.99999881 7.05849751 1.52649089 0.42791523E-06 0.41000000E+04 0.99999878 6.93142611 1.52736106 0.38901265E-06 0.41500000E+04 0.99999875 6.80532833 1.52832592 0.35432740E-06 0.42000000E+04 0.99999870 6.68035914 1.52939315 0.32331015E-06 0.42500000E+04 0.99999864 6.55668507 1.53055613 0.29551571E-06 0.43000000E+04 0.99999855 6.43448391 1.53180850 0.27059471E-06 0.43500000E+04 0.99999844 6.31394420 1.53315013 0.24806675E-06 0.44000000E+04 0.99999828 6.19526470 1.53456475 0.22805590E-06 0.44500000E+04 0.99999806 6.07865347 1.53603539 0.21008141E-06 0.45000000E+04 0.99999776 5.96432703 1.53755735 0.19387029E-06 0.45500000E+04 0.99999736 5.85250914 1.53912128 0.17918357E-06 0.46000000E+04 0.99999685 5.74342957 1.54070965 0.16583283E-06 0.46500000E+04 0.99999617 5.63732261 1.54230001 0.15367235E-06 0.47000000E+04 0.99999532 5.53442544 1.54387974 0.14258097E-06 0.47500000E+04 0.99999424 5.43497641 1.54543038 0.13245304E-06 0.48000000E+04 0.99999290 5.33921310 1.54692963 0.12320305E-06 0.48500000E+04 0.99999126 5.24737037 1.54836727 0.11476997E-06 0.49000000E+04 0.99998927 5.15967828 1.54973556 0.10710601E-06 0.49500000E+04 0.99998689 5.07636005 1.55102014 0.99949705E-07 0.50000000E+04 0.99998408 4.99763000 1.55220299 0.93636322E-07 0.50500000E+04 0.99998081 4.92369163 1.55327054 0.87861739E-07 0.51000000E+04 0.99997704 4.85473584 1.55421172 0.82529507E-07 0.51500000E+04 0.99997274 4.79093919 1.55501133 0.77563484E-07 0.52000000E+04 0.99996792 4.73246246 1.55566393 0.72919503E-07 0.52500000E+04 0.99996258 4.67944923 1.55617285 0.68578215E-07 0.53000000E+04 0.99995674 4.63202478 1.55654035 0.64524230E-07 0.53500000E+04 0.99995042 4.59029507 1.55676785 0.60757654E-07 0.54000000E+04 0.99994369 4.55434613 1.55685777 0.57265307E-07 0.54500000E+04 0.99993661 4.52424362 1.55681407 0.54032817E-07 0.55000000E+04 0.99992926 4.50003277 1.55663569 0.51069579E-07 0.55500000E+04 0.99992172 4.48173859 1.55632297 0.48139673E-07 0.56000000E+04 0.99991410 4.46936621 1.55588336 0.45599454E-07 0.56500000E+04 0.99990649 4.46290157 1.55532656 0.43268723E-07 0.57000000E+04 0.99989899 4.46231216 1.55466383 0.41050593E-07 0.57500000E+04 0.99989168 4.46754783 1.55390919 0.38943847E-07 0.58000000E+04 0.99988466 4.47854188 1.55307723 0.37045313E-07 0.58500000E+04 0.99987797 4.49521213 1.55217818 0.35228106E-07 0.59000000E+04 0.99987169 4.51746210 1.55121737 0.33462346E-07 0.59500000E+04 0.99986583 4.54518237 1.55020126 0.31999971E-07 0.60000000E+04 0.99986042 4.57825177 1.54913700 0.30678424E-07 0.60500000E+04 0.99985547 4.61653880 1.54803289 0.29091785E-07 0.61000000E+04 0.99985095 4.65990279 1.54690034 0.27695094E-07 0.61500000E+04 0.99984686 4.70819522 1.54575191 0.26862971E-07 0.62000000E+04 0.99984315 4.76126088 1.54459726 0.25641052E-07 0.62500000E+04 0.99983980 4.81893906 1.54344084 0.23797416E-07 0.63000000E+04 0.99983676 4.88106464 1.54228531 0.23079886E-07 0.63500000E+04 0.99983399 4.94746917 1.54113380 0.22829739E-07 0.64000000E+04 0.99983146 5.01798190 1.53999089 0.21329348E-07 0.64500000E+04 0.99982913 5.09243069 1.53886436 0.19815730E-07 0.65000000E+04 0.99982698 5.17064292 1.53776323 0.20276255E-07 0.65500000E+04 0.99982498 5.25244631 1.53669335 0.20760704E-07 0.66000000E+04 0.99982313 5.33766976 1.53565483 0.19072214E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.66500000E+04 0.99982141 5.42614406 1.53464417 0.17935835E-07 0.67000000E+04 0.99981981 5.51770260 1.53365865 0.19471996E-07 0.67500000E+04 0.99981831 5.61218193 1.53269873 0.20182322E-07 0.68000000E+04 0.99981689 5.70942225 1.53176978 0.18475245E-07 0.68500000E+04 0.99981549 5.80926776 1.53088003 0.17753838E-07 0.69000000E+04 0.99981406 5.91156696 1.53003490 0.17757476E-07 0.69500000E+04 0.99981251 6.01617280 1.52923321 0.15734165E-07 0.70000000E+04 0.99981072 6.12294287 1.52846849 0.16029557E-07 0.70500000E+04 0.99980853 6.23173941 1.52773385 0.22983257E-07 0.71000000E+04 0.99980569 6.34242929 1.52702618 0.30477575E-07 0.71500000E+04 0.99980187 6.45488383 1.52634819 0.37766890E-07 0.72000000E+04 0.99979660 6.56897863 1.52570667 0.65164802E-07 0.72500000E+04 0.99978926 6.68459323 1.52510656 0.13200538E-06 0.73000000E+04 0.99977902 6.80161074 1.52454618 0.23128276E-06 0.73500000E+04 0.99976479 6.91991743 1.52401791 0.35360432E-06 0.74000000E+04 0.99974517 7.03940224 1.52351326 0.52984995E-06 0.74500000E+04 0.99971841 7.15995621 1.52302793 0.81797015E-06 0.75000000E+04 0.99968229 7.28147196 1.52256413 0.12414878E-05 0.75500000E+04 0.99963411 7.40384306 1.52212882 0.17734951E-05 0.76000000E+04 0.99957059 7.52696347 1.52172767 0.24037689E-05 0.76500000E+04 0.99948780 7.65072696 1.52135953 0.31931248E-05 0.77000000E+04 0.99938110 7.77502673 1.52101665 0.42154714E-05 0.77500000E+04 0.99924511 7.89975499 1.52068985 0.54548766E-05 0.78000000E+04 0.99907360 8.02480278 1.52037434 0.68224154E-05 0.78500000E+04 0.99885955 8.15005988 1.52007246 0.83048201E-05 0.79000000E+04 0.99859508 8.27541489 1.51979165 0.10061691E-04 0.79500000E+04 0.99827149 8.40075544 1.51953839 0.12358755E-04 0.80000000E+04 0.99787927 8.52596853 1.51931244 0.15505091E-04 0.80500000E+04 0.99740814 8.65094102 1.51910652 0.20034218E-04 0.81000000E+04 0.99684713 8.77556016 1.51891164 0.27088554E-04 0.81500000E+04 0.99618463 8.89971426 1.51872326 0.38703708E-04 0.82000000E+04 0.99540851 9.02329343 1.51854421 0.57832567E-04 0.82500000E+04 0.99450626 9.14619048 1.51838233 0.88369052E-04 0.83000000E+04 0.99346510 9.26830189 1.51824431 0.13552683E-03 0.83500000E+04 0.99227220 9.38952891 1.51812980 0.20651563E-03 0.84000000E+04 0.99091489 9.50977884 1.51803105 0.31102254E-03 0.84500000E+04 0.98938086 9.62896633 1.51793836 0.46111312E-03 0.85000000E+04 0.98765850 9.74701465 1.51784683 0.67078144E-03 0.85500000E+04 0.98573707 9.86385704 1.51775955 0.95577194E-03 0.86000000E+04 0.98360703 9.97943795 1.51768528 0.13339449E-02 0.86500000E+04 0.98126032 10.09371411 1.51763181 0.18256905E-02 0.87000000E+04 0.97869053 10.20665550 1.51760000 0.24536574E-02 0.87500000E+04 0.97589324 10.31824620 1.51758293 0.32415654E-02 0.88000000E+04 0.97286617 10.42848499 1.51757097 0.42126557E-02 0.88500000E+04 0.96960937 10.53738587 1.51755863 0.53887118E-02 0.89000000E+04 0.96612541 10.64497838 1.51754802 0.67898879E-02 0.89500000E+04 0.96241954 10.75130785 1.51754651 0.84346937E-02 0.90000000E+04 0.95849975 10.85643545 1.51756029 0.10339434E-01 0.90500000E+04 0.95437690 10.96043807 1.51758882 0.12516867E-01 0.91000000E+04 0.95006465 11.06340787 1.51762451 0.14974557E-01 0.91500000E+04 0.94557944 11.16545149 1.51765800 0.17713855E-01 0.92000000E+04 0.94094025 11.26668859 1.51768512 0.20729897E-01 0.92500000E+04 0.93616830 11.36724990 1.51771025 0.24012310E-01 0.93000000E+04 0.93128653 11.46727453 1.51774315 0.27546205E-01 0.93500000E+04 0.92631908 11.56690667 1.51779173 0.31312809E-01 0.94000000E+04 0.92129058 11.66629188 1.51785585 0.35289553E-01 0.94500000E+04 0.91622545 11.76557310 1.51792699 0.39450153E-01 0.95000000E+04 0.91114713 11.86488673 1.51799379 0.43764973E-01 0.95500000E+04 0.90607748 11.96435891 1.51804961 0.48201809E-01 0.96000000E+04 0.90103616 12.06410250 1.51809661 0.52727143E-01 0.96500000E+04 0.89604021 12.16421472 1.51814313 0.57307396E-01 0.97000000E+04 0.89110380 12.26477569 1.51819667 0.61909671E-01 0.97500000E+04 0.88623813 12.36584786 1.51825784 0.66502000E-01 0.98000000E+04 0.88145141 12.46747616 1.51832015 0.71053203E-01 0.98500000E+04 0.87674906 12.56968878 1.51837510 0.75532595E-01 0.99000000E+04 0.87213388 12.67249827 1.51841915 0.79910067E-01 0.99500000E+04 0.86760626 12.77590276 1.51845711 0.84156514E-01 0.10000000E+05 0.86316436 12.87988716 1.51849882 0.88244449E-01 0.10050000E+05 0.85880432 12.98442417 1.51855147 0.92148751E-01 0.10100000E+05 0.85452036 13.08947511 1.51861371 0.95847296E-01 0.10150000E+05 0.85030494 13.19499059 1.51867593 0.99321256E-01 0.10200000E+05 0.84614879 13.30091105 1.51872655 0.10255538E+00 0.10250000E+05 0.84204102 13.40716733 1.51875982 0.10553804E+00 0.10300000E+05 0.83796924 13.51368123 1.51878011 0.10826108E+00 0.10350000E+05 0.83391959 13.62036613 1.51879881 0.11071946E+00 0.10400000E+05 0.82987693 13.72712773 1.51882615 0.11291073E+00 0.10450000E+05 0.82582493 13.83386492 1.51886433 0.11483447E+00 0.10500000E+05 0.82174626 13.94047076 1.51890664 0.11649200E+00 0.10550000E+05 0.81762281 14.04683361 1.51894283 0.11788637E+00 0.10600000E+05 0.81343589 14.15283838 1.51896648 0.11902225E+00 0.10650000E+05 0.80916653 14.25836788 1.51897966 0.11990603E+00 0.10700000E+05 0.80479570 14.36330417 1.51899101 0.12054580E+00 0.10750000E+05 0.80030456 14.46752991 1.51900869 0.12095105E+00 0.10800000E+05 0.79567470 14.57092971 1.51903425 0.12113242E+00 0.10850000E+05 0.79088836 14.67339127 1.51906172 0.12110111E+00 0.10900000E+05 0.78592860 14.77480648 1.51908234 0.12086828E+00 0.10950000E+05 0.78077949 14.87507235 1.51909108 0.12044477E+00 0.11000000E+05 0.77542625 14.97409186 1.51909074 0.11984118E+00 0.11050000E+05 0.76985540 15.07177458 1.51909025 0.11906832E+00 0.11100000E+05 0.76405489 15.16803723 1.51909785 0.11813758E+00 0.11150000E+05 0.75801424 15.26280403 1.51911486 0.11706089E+00 0.11200000E+05 0.75172460 15.35600693 1.51913469 0.11585019E+00 0.11250000E+05 0.74517892 15.44758572 1.51914769 0.11451707E+00 0.11300000E+05 0.73837190 15.53748797 1.51914819 0.11307259E+00 0.11350000E+05 0.73130012 15.62566894 1.51913919 0.11152759E+00 0.11400000E+05 0.72396201 15.71209136 1.51913095 0.10989284E+00 0.11450000E+05 0.71635785 15.79672525 1.51913355 0.10817892E+00 0.11500000E+05 0.70848969 15.87954763 1.51914905 0.10639561E+00 0.11550000E+05 0.70036134 15.96054225 1.51916945 0.10455149E+00 0.11600000E+05 0.69197827 16.03969930 1.51918199 0.10265385E+00 0.11650000E+05 0.68334753 16.11701512 1.51917805 0.10070930E+00 0.11700000E+05 0.67447765 16.19249187 1.51915988 0.98724500E-01 0.11750000E+05 0.66537856 16.26613720 1.51914020 0.96706563E-01 0.11800000E+05 0.65606145 16.33796386 1.51913371 0.94662896E-01 0.11850000E+05 0.64653865 16.40798936 1.51914628 0.92600629E-01 0.11900000E+05 0.63682349 16.47623544 1.51917045 0.90526050E-01 0.11950000E+05 0.62693018 16.54272767 1.51919013 0.88444412E-01 0.12000000E+05 0.61687362 16.60749493 1.51919146 0.86360164E-01 0.12050000E+05 0.60666925 16.67056889 1.51917236 0.84277453E-01 0.12100000E+05 0.59633293 16.73198358 1.51914473 0.82200496E-01 0.12150000E+05 0.58588078 16.79177490 1.51912677 0.80133601E-01 0.12200000E+05 0.57532903 16.84998026 1.51913016 0.78080849E-01 0.12250000E+05 0.56469392 16.90663817 1.51915216 0.76045674E-01 0.12300000E+05 0.55399159 16.96178792 1.51917795 0.74030669E-01 0.12350000E+05 0.54323798 17.01546929 1.51919053 0.72037795E-01 0.12400000E+05 0.53244871 17.06772230 1.51918154 0.70068840E-01 0.12450000E+05 0.52163908 17.11858695 1.51915658 0.68125808E-01 0.12500000E+05 0.51082394 17.16810310 1.51913125 0.66210953E-01 0.12550000E+05 0.50001764 17.21631026 1.51911995 0.64326475E-01 0.12600000E+05 0.48923403 17.26324753 1.51912665 0.62474103E-01 0.12650000E+05 0.47848635 17.30895343 1.51914441 0.60654877E-01 0.12700000E+05 0.46778727 17.35346586 1.51916124 0.58869301E-01 0.12750000E+05 0.45714879 17.39682198 1.51916767 0.57117767E-01 0.12800000E+05 0.44658228 17.43905819 1.51916195 0.55400920E-01 0.12850000E+05 0.43609844 17.48021001 1.51915003 0.53719680E-01 0.12900000E+05 0.42570726 17.52031212 1.51913929 0.52074953E-01 0.12950000E+05 0.41541810 17.55939827 1.51913271 0.50467287E-01 0.13000000E+05 0.40523959 17.59750124 1.51912932 0.48896719E-01 0.13050000E+05 0.39517974 17.63465285 1.51912768 0.47362903E-01 0.13100000E+05 0.38524585 17.67088388 1.51912768 0.45865431E-01 0.13150000E+05 0.37544462 17.70622412 1.51913075 0.44404101E-01 0.13200000E+05 0.36578210 17.74070235 1.51913881 0.42978948E-01 0.13250000E+05 0.35626375 17.77434637 1.51915027 0.41590053E-01 0.13300000E+05 0.34689443 17.80718303 1.51915782 0.40237289E-01 0.13350000E+05 0.33767844 17.83923826 1.51915364 0.38920213E-01 0.13400000E+05 0.32861957 17.87053710 1.51913669 0.37638170E-01 0.13450000E+05 0.31972105 17.90110367 1.51911399 0.36390499E-01 0.13500000E+05 0.31098565 17.93096125 1.51909718 0.35176701E-01 0.13550000E+05 0.30241565 17.96013222 1.51909755 0.33996423E-01 0.13600000E+05 0.29401290 17.98863815 1.51911829 0.32849354E-01 0.13650000E+05 0.28577882 18.01649981 1.51914871 0.31735088E-01 0.13700000E+05 0.27771444 18.04373722 1.51917032 0.30653078E-01 0.13750000E+05 0.26982043 18.07036967 1.51916966 0.29602696E-01 0.13800000E+05 0.26209710 18.09641577 1.51914546 0.28583333E-01 0.13850000E+05 0.25454444 18.12189346 1.51910901 0.27594444E-01 0.13900000E+05 0.24716215 18.14682008 1.51908060 0.26635512E-01 0.13950000E+05 0.23994964 18.17121231 1.51907827 0.25705974E-01 0.14000000E+05 0.23290606 18.19508623 1.51910366 0.24805181E-01 0.14050000E+05 0.22603030 18.21845732 1.51914094 0.23932438E-01 0.14100000E+05 0.21932107 18.24134043 1.51916914 0.23087068E-01 0.14150000E+05 0.21277684 18.26374984 1.51917305 0.22268457E-01 0.14200000E+05 0.20639590 18.28569918 1.51914957 0.21476026E-01 0.14250000E+05 0.20017638 18.30720153 1.51911189 0.20709188E-01 0.14300000E+05 0.19411625 18.32826936 1.51908298 0.19967315E-01 0.14350000E+05 0.18821334 18.34891459 1.51907820 0.19249739E-01 0.14400000E+05 0.18246538 18.36914858 1.51909640 0.18555771E-01 0.14450000E+05 0.17686996 18.38898223 1.51912622 0.17884738E-01 0.14500000E+05 0.17142461 18.40842596 1.51915240 0.17236003E-01 0.14550000E+05 0.16612678 18.42748977 1.51916063 0.16608956E-01 0.14600000E+05 0.16097382 18.44618330 1.51914747 0.16002994E-01 0.14650000E+05 0.15596306 18.46451579 1.51912364 0.15417510E-01 0.14700000E+05 0.15109177 18.48249610 1.51910253 0.14851921E-01 0.14750000E+05 0.14635717 18.50013275 1.51909103 0.14305698E-01 0.14800000E+05 0.14175647 18.51743387 1.51909280 0.13778362E-01 0.14850000E+05 0.13728683 18.53440726 1.51910747 0.13269444E-01 0.14900000E+05 0.13294542 18.55106032 1.51912638 0.12778447E-01 0.14950000E+05 0.12872941 18.56740014 1.51913967 0.12304826E-01 0.15000000E+05 0.12463593 18.58343341 1.51914455 0.11848012E-01 0.15050000E+05 0.12066215 18.59916651 1.51914049 0.11407448E-01 0.15100000E+05 0.11680526 18.61460552 1.51912574 0.10982605E-01 0.15150000E+05 0.11306242 18.62975618 1.51910552 0.10572982E-01 0.15200000E+05 0.10943087 18.64462399 1.51909168 0.10178104E-01 0.15250000E+05 0.10590783 18.65921420 1.51909038 0.97975117E-02 0.15300000E+05 0.10249058 18.67353186 1.51910114 0.94307575E-02 0.15350000E+05 0.09917643 18.68758180 1.51912199 0.90773945E-02 0.15400000E+05 0.09596272 18.70136871 1.51914442 0.87369637E-02 0.15450000E+05 0.09284682 18.71489714 1.51915267 0.84090023E-02 0.15500000E+05 0.08982616 18.72817151 1.51913994 0.80930621E-02 0.15550000E+05 0.08689821 18.74119613 1.51911570 0.77887211E-02 0.15600000E+05 0.08406047 18.75397522 1.51909262 0.74955746E-02 0.15650000E+05 0.08131051 18.76651287 1.51908064 0.72132199E-02 0.15700000E+05 0.07864591 18.77881312 1.51908867 0.69412598E-02 0.15750000E+05 0.07606434 18.79087989 1.51911459 0.66793210E-02 0.15800000E+05 0.07356347 18.80271706 1.51914031 0.64270608E-02 0.15850000E+05 0.07114107 18.81432845 1.51914971 0.61841517E-02 0.15900000E+05 0.06879491 18.82571779 1.51914216 0.59502666E-02 0.15950000E+05 0.06652283 18.83688878 1.51912315 0.57250909E-02 0.16000000E+05 0.06432272 18.84784504 1.51909980 0.55083408E-02 0.16050000E+05 0.06219252 18.85859015 1.51908591 0.52997532E-02 0.16100000E+05 0.06013019 18.86912764 1.51909067 0.50990487E-02 0.16150000E+05 0.05813377 18.87946100 1.51910674 0.49059185E-02 0.16200000E+05 0.05620133 18.88959365 1.51912275 0.47200590E-02 0.16250000E+05 0.05433099 18.89952898 1.51913564 0.45412136E-02 0.16300000E+05 0.05252091 18.90927031 1.51914153 0.43691669E-02 0.16350000E+05 0.05076930 18.91882091 1.51913380 0.42037007E-02 0.16400000E+05 0.04907441 18.92818400 1.51911694 0.40445705E-02 0.16450000E+05 0.04743454 18.93736278 1.51910172 0.38915254E-02 0.16500000E+05 0.04584804 18.94636036 1.51909131 0.37443362E-02 0.16550000E+05 0.04431328 18.95517984 1.51908828 0.36027880E-02 0.16600000E+05 0.04282869 18.96382423 1.51910056 0.34666586E-02 0.16650000E+05 0.04139273 18.97229654 1.51912555 0.33357266E-02 0.16700000E+05 0.04000391 18.98059972 1.51914565 0.32098016E-02 0.16750000E+05 0.03866079 18.98873669 1.51914912 0.30887282E-02 0.16800000E+05 0.03736193 18.99671033 1.51913628 0.29723424E-02 0.16850000E+05 0.03610597 19.00452352 1.51910963 0.28604325E-02 0.16900000E+05 0.03489156 19.01217904 1.51908058 0.27527629E-02 0.16950000E+05 0.03371741 19.01967968 1.51907160 0.26491421E-02 0.17000000E+05 0.03258225 19.02702816 1.51909189 0.25494556E-02 0.17050000E+05 0.03148485 19.03422719 1.51912521 0.24536212E-02 0.17100000E+05 0.03042400 19.04127943 1.51915131 0.23615178E-02 0.17150000E+05 0.02939856 19.04818753 1.51915924 0.22729666E-02 0.17200000E+05 0.02840740 19.05495410 1.51914166 0.21877784E-02 0.17250000E+05 0.02744940 19.06158169 1.51910497 0.21058027E-02 0.17300000E+05 0.02652351 19.06807276 1.51907562 0.20269272E-02 0.17350000E+05 0.02562870 19.07442974 1.51907381 0.19510454E-02 0.17400000E+05 0.02476396 19.08065500 1.51909447 0.18780453E-02 0.17450000E+05 0.02392831 19.08675085 1.51912341 0.18078287E-02 0.17500000E+05 0.02312081 19.09271955 1.51914921 0.17403227E-02 0.17550000E+05 0.02234054 19.09856330 1.51915634 0.16754544E-02 0.17600000E+05 0.02158661 19.10428427 1.51913712 0.16131136E-02 0.17650000E+05 0.02085816 19.10988451 1.51910757 0.15531494E-02 0.17700000E+05 0.02015435 19.11536604 1.51908790 0.14954146E-02 0.17750000E+05 0.01947436 19.12073081 1.51908276 0.14398142E-02 0.17800000E+05 0.01881741 19.12598073 1.51909193 0.13863141E-02 0.17850000E+05 0.01818274 19.13111768 1.51911569 0.13349013E-02 0.17900000E+05 0.01756960 19.13614350 1.51914083 0.12855343E-02 0.17950000E+05 0.01697728 19.14106001 1.51914888 0.12381244E-02 0.18000000E+05 0.01640510 19.14586899 1.51913945 0.11925552E-02 0.18050000E+05 0.01585236 19.15057217 1.51912185 0.11487161E-02 0.18100000E+05 0.01531843 19.15517123 1.51910007 0.11065211E-02 0.18150000E+05 0.01480268 19.15966784 1.51908337 0.10659060E-02 0.18200000E+05 0.01430449 19.16406363 1.51908686 0.10268189E-02 0.18250000E+05 0.01382328 19.16836021 1.51910914 0.98921700E-03 0.18300000E+05 0.01335847 19.17255917 1.51913245 0.95306646E-03 0.18350000E+05 0.01290950 19.17666208 1.51914666 0.91833405E-03 0.18400000E+05 0.01247586 19.18067046 1.51914864 0.88497152E-03 0.18450000E+05 0.01205700 19.18458577 1.51913226 0.85290669E-03 0.18500000E+05 0.01165245 19.18840943 1.51910363 0.82205326E-03 0.18550000E+05 0.01126170 19.19214286 1.51908446 0.79233397E-03 0.18600000E+05 0.01088429 19.19578746 1.51908637 0.76369853E-03 0.18650000E+05 0.01051978 19.19934459 1.51910262 0.73612275E-03 0.18700000E+05 0.01016771 19.20281564 1.51912631 0.70959256E-03 0.18750000E+05 0.00982767 19.20620197 1.51914991 0.68408667E-03 0.18800000E+05 0.00949924 19.20950490 1.51915580 0.65956926E-03 0.18850000E+05 0.00918203 19.21272573 1.51913650 0.63599270E-03 0.18900000E+05 0.00887566 19.21586576 1.51910806 0.61330482E-03 0.18950000E+05 0.00857975 19.21892624 1.51908810 0.59145567E-03 0.19000000E+05 0.00829395 19.22190843 1.51908257 0.57040279E-03 0.19050000E+05 0.00801791 19.22481354 1.51909638 0.55011414E-03 0.19100000E+05 0.00775129 19.22764277 1.51912808 0.53056769E-03 0.19150000E+05 0.00749378 19.23039730 1.51915601 0.51174704E-03 0.19200000E+05 0.00724506 19.23307823 1.51915887 0.49363495E-03 0.19250000E+05 0.00700482 19.23568661 1.51913962 0.47620883E-03 0.19300000E+05 0.00677278 19.23822343 1.51911194 0.45944002E-03 0.19350000E+05 0.00654865 19.24068967 1.51908685 0.44329662E-03 0.19400000E+05 0.00633216 19.24308628 1.51907957 0.42774696E-03 0.19450000E+05 0.00612305 19.24541421 1.51910051 0.41276236E-03 0.19500000E+05 0.00592106 19.24767441 1.51913491 0.39831907E-03 0.19550000E+05 0.00572595 19.24986783 1.51915706 0.38439932E-03 0.19600000E+05 0.00553748 19.25199539 1.51915837 0.37099083E-03 0.19650000E+05 0.00535543 19.25405799 1.51914206 0.35808342E-03 0.19700000E+05 0.00517956 19.25605648 1.51911303 0.34566376E-03 0.19750000E+05 0.00500967 19.25799168 1.51908754 0.33371161E-03 0.19800000E+05 0.00484555 19.25986439 1.51908600 0.32220081E-03 0.19850000E+05 0.00468700 19.26167539 1.51910774 0.31110473E-03 0.19900000E+05 0.00453384 19.26342548 1.51913451 0.30040255E-03 0.19950000E+05 0.00438586 19.26511544 1.51915453 0.29008184E-03 0.20000000E+05 0.00424290 19.26674603 1.51916100 0.28013628E-03 warning: ndused not equal to ndatus ************************************************************************ info from reading or writing asymptotic info ************************************************************************ # timesteps for which bk coefs available is: 400 # data used, ndused = 396 effective prop.time, spectral resolution (mev) = 19800.0000 0.4317532E+01 meaningful results in kin energy range (ev) 0.004318 1.709743 results will be obtained for nen95 energies,nen95 = 93 ************************************************************************ info from gtaife ************************************************************************ ************************************************************************ info from probaf ************************************************************************ # of data skipped in between data in next printout = 0 idat ekin(ev) preact phase 1 0.1511136 -0.002909 2.59049 2 0.1554312 -0.020993 2.04416 3 0.1597487 -0.025205 1.52001 4 0.1640662 -0.015401 1.00865 5 0.1683837 0.001281 0.50176 6 0.1727013 0.014545 -0.00374 7 0.1770188 0.016915 -0.50341 8 0.1813363 0.008104 -0.98808 9 0.1856539 -0.005008 -1.45122 10 0.1899714 -0.013020 -1.89421 11 0.1942889 -0.010537 -2.32504 12 0.1986065 -0.000115 -2.75263 13 0.2029240 0.009575 3.10289 14 0.2072415 0.010578 2.68037 15 0.2115591 0.002405 2.27196 16 0.2158766 -0.007240 1.88137 17 0.2201941 -0.009239 1.50349 18 0.2245117 -0.001822 1.12930 19 0.2288292 0.007287 0.75420 20 0.2331467 0.008449 0.38265 21 0.2374643 0.000422 0.02330 22 0.2417818 -0.007824 -0.32105 23 0.2460993 -0.006878 -0.65654 24 0.2504169 0.002075 -0.99151 25 0.2547344 0.008219 -1.32726 26 0.2590519 0.004050 -1.65651 27 0.2633695 -0.005059 -1.97263 28 0.2676870 -0.007334 -2.27814 29 0.2720045 0.000164 -2.58156 30 0.2763221 0.007356 -2.88683 31 0.2806396 0.004502 3.09498 32 0.2849571 -0.004355 2.80507 33 0.2892746 -0.006770 2.52538 34 0.2935922 0.000547 2.24760 35 0.2979097 0.006840 1.96758 36 0.3022272 0.002854 1.69121 37 0.3065448 -0.005412 1.42576 38 0.3108623 -0.005530 1.16894 39 0.3151798 0.002549 0.91217 40 0.3194974 0.006304 0.65320 41 0.3238149 -0.000008 0.39959 42 0.3281324 -0.006303 0.15683 43 0.3324500 -0.002584 -0.08044 44 0.3367675 0.005045 -0.32018 45 0.3410850 0.004196 -0.56037 46 0.3454026 -0.003573 -0.79216 47 0.3497201 -0.005290 -1.01460 48 0.3540376 0.001844 -1.23641 49 0.3583552 0.005679 -1.46163 50 0.3626727 -0.000333 -1.68264 51 0.3669902 -0.005845 -1.89313 52 0.3713078 -0.001343 -2.09930 53 0.3756253 0.005235 -2.30935 54 0.3799428 0.002258 -2.51911 55 0.3842604 -0.004993 -2.71911 56 0.3885779 -0.003534 -2.91175 57 0.3928954 0.003958 -3.10730 58 0.3972129 0.003754 2.97778 59 0.4015305 -0.003837 2.78798 60 0.4058480 -0.004707 2.60759 61 0.4101655 0.002903 2.42549 62 0.4144831 0.004716 2.23879 63 0.4188006 -0.002797 2.05900 64 0.4231181 -0.005324 1.89019 65 0.4274357 0.002056 1.72071 66 0.4317532 0.005014 1.54513 67 0.4360707 -0.002323 1.37556 68 0.4403883 -0.005473 1.21825 69 0.4447058 0.002000 1.06060 70 0.4490233 0.005287 0.89537 71 0.4533409 -0.002257 0.73605 72 0.4576584 -0.005417 0.59038 73 0.4619759 0.002224 0.44395 74 0.4662935 0.004971 0.28851 75 0.4706110 -0.002859 0.13995 76 0.4749285 -0.005019 0.00636 77 0.4792461 0.002995 -0.12977 78 0.4835636 0.004429 -0.27637 79 0.4878811 -0.003659 -0.41348 80 0.4921987 -0.004249 -0.53437 81 0.4965162 0.003650 -0.66114 82 0.5008337 0.003119 -0.79922 83 0.5051512 -0.004557 -0.92317 84 0.5094688 -0.002927 -1.03078 85 0.5137863 0.004358 -1.15009 86 0.5181038 0.001819 -1.28021 87 0.5224214 -0.004626 -1.38933 88 0.5267389 -0.001022 -1.48419 89 0.5310564 0.004659 -1.59850 90 0.5353740 0.000408 -1.71941 91 0.5396915 -0.004120 -1.81076 92 0.5440090 0.000898 -1.89445 93 0.5483266 0.004626 -2.00650 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42900244D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9894434E+00 0.3736826E-02 0.3848762E+00 1 0.1167937E-05 0.6393045E-02 0.1475206E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.4004542E-04 0 26 1 0 0.1064037E-02 0 31 1 1 0.4004542E-04 0 13 3 -3 0.4247728E-05 0 17 3 -2 0.7119061E-04 0 22 3 -1 0.3625052E-03 0 27 3 0 0.3104807E-02 0 32 3 1 0.3625052E-03 0 36 3 2 0.7119060E-04 0 40 3 3 0.4247727E-05 0 7 5 -5 0.7024794E-06 0 10 5 -4 0.8961366E-05 0 14 5 -3 0.6511203E-04 0 18 5 -2 0.4646591E-03 0 23 5 -1 0.9020193E-03 0 28 5 0 0.1313968E-01 0 33 5 1 0.9020193E-03 0 37 5 2 0.4646591E-03 0 41 5 3 0.6511203E-04 0 44 5 4 0.8961361E-05 0 47 5 5 0.7024791E-06 0 3 7 -7 0.7272017E-08 0 5 7 -6 0.1236405E-06 0 8 7 -5 0.3569658E-06 0 11 7 -4 0.1586812E-04 0 15 7 -3 0.6852805E-04 0 19 7 -2 0.5573211E-02 0 24 7 -1 0.1385474E-02 0 29 7 0 0.9542089E+00 0 34 7 1 0.1385474E-02 0 38 7 2 0.5573211E-02 0 42 7 3 0.6852805E-04 0 45 7 4 0.1586812E-04 0 48 7 5 0.3569658E-06 0 50 7 6 0.1236406E-06 0 52 7 7 0.7272017E-08 0 1 9 -9 0.0000000E+00 0 2 9 -8 0.0000000E+00 0 4 9 -7 0.0000000E+00 0 6 9 -6 0.0000000E+00 0 9 9 -5 0.0000000E+00 0 12 9 -4 0.0000000E+00 0 16 9 -3 0.0000000E+00 0 20 9 -2 0.0000000E+00 0 25 9 -1 0.0000000E+00 0 30 9 0 0.0000000E+00 0 35 9 1 0.0000000E+00 0 39 9 2 0.0000000E+00 0 43 9 3 0.0000000E+00 0 46 9 4 0.0000000E+00 0 49 9 5 0.0000000E+00 0 51 9 6 0.0000000E+00 0 53 9 7 0.0000000E+00 0 54 9 8 0.0000000E+00 0 55 9 9 0.0000000E+00 1 21 1 -1 0.9308188E-07 1 26 1 0 0.9772096E-06 1 31 1 1 0.9308188E-07 1 13 3 -3 0.2286619E-11 1 17 3 -2 0.2594516E-18 1 22 3 -1 0.4304383E-18 1 27 3 0 0.4559411E-08 1 32 3 1 0.1023222E-18 1 36 3 2 0.3714886E-18 1 40 3 3 0.2286641E-11 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.2516612E-16 1 0.1126411E-04 2 0.1631955E-04 3 0.1104536E-04 4 0.1281650E-05 5 0.8682525E-07 6 0.3094803E-07 7 0.1533641E-07 8 0.1013967E-08 9 0.6131329E-09 v, j, mj = 0 1 0 0 0.5971306E-04 1 0.3902507E-03 2 0.5052458E-03 3 0.1045928E-03 4 0.3844068E-05 5 0.2748579E-06 6 0.9018106E-07 7 0.1487951E-07 8 0.8783661E-08 9 0.1345859E-08 v, j, mj = 0 1 1 0 0.5762594E-17 1 0.1126411E-04 2 0.1631955E-04 3 0.1104536E-04 4 0.1281650E-05 5 0.8682499E-07 6 0.3094845E-07 7 0.1533639E-07 8 0.1013967E-08 9 0.6131282E-09 v, j, mj = 0 3 -3 0 0.2224497E-08 1 0.3674061E-07 2 0.3717216E-06 3 0.1855267E-05 4 0.1619191E-05 5 0.3347935E-06 6 0.2067302E-07 7 0.4480974E-08 8 0.2539382E-08 9 0.9695351E-10 v, j, mj = 0 3 -2 0 0.2443340E-14 1 0.1005544E-04 2 0.3077329E-04 3 0.2291883E-04 4 0.6847927E-05 5 0.5565047E-06 6 0.2913912E-07 7 0.6908996E-08 8 0.2498254E-08 9 0.6508250E-10 v, j, mj = 0 3 -1 0 0.1941694E-16 1 0.1072703E-03 2 0.1519529E-03 3 0.9032881E-04 4 0.1235444E-04 5 0.4963731E-06 6 0.9278363E-07 7 0.8338153E-08 8 0.1155928E-08 9 0.1380701E-09 v, j, mj = 0 3 0 0 0.5905718E-03 1 0.1569044E-02 2 0.8222463E-03 3 0.1151850E-03 4 0.7457120E-05 5 0.2131515E-06 6 0.6729453E-07 7 0.1221274E-07 8 0.1038983E-07 9 0.2406363E-09 v, j, mj = 0 3 1 0 0.1972118E-15 1 0.1072703E-03 2 0.1519529E-03 3 0.9032882E-04 4 0.1235444E-04 5 0.4963751E-06 6 0.9278369E-07 7 0.8338157E-08 8 0.1155927E-08 9 0.1380698E-09 v, j, mj = 0 3 2 0 0.2151010E-14 1 0.1005544E-04 2 0.3077328E-04 3 0.2291883E-04 4 0.6847928E-05 5 0.5565039E-06 6 0.2913917E-07 7 0.6908996E-08 8 0.2498255E-08 9 0.6508253E-10 v, j, mj = 0 3 3 0 0.2224085E-08 1 0.3674082E-07 2 0.3717205E-06 3 0.1855267E-05 4 0.1619190E-05 5 0.3347937E-06 6 0.2067302E-07 7 0.4480974E-08 8 0.2539381E-08 9 0.9695352E-10 v, j, mj = 0 5 -5 0 0.2742653E-16 1 0.1606403E-08 2 0.7611124E-07 3 0.3849058E-06 4 0.2086564E-06 5 0.2090994E-07 6 0.6891025E-08 7 0.3398567E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.6988227E-15 1 0.7338657E-07 2 0.2629655E-05 3 0.4919237E-05 4 0.1183392E-05 5 0.6195389E-07 6 0.7641540E-07 7 0.1732575E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2470992E-07 1 0.2923893E-05 2 0.3142761E-04 3 0.2791319E-04 4 0.2650519E-05 5 0.1323597E-06 6 0.3556155E-07 7 0.4189536E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.8387295E-14 1 0.1537853E-03 2 0.2592047E-03 3 0.5045286E-04 4 0.1143469E-05 5 0.5323988E-07 6 0.1341902E-07 7 0.6141775E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.2348401E-15 1 0.5419224E-03 2 0.3437712E-03 3 0.1393045E-04 4 0.2117976E-05 5 0.2702714E-06 6 0.4187988E-08 7 0.2759668E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.6228898E-02 1 0.6554270E-02 2 0.3347400E-03 3 0.1693982E-04 4 0.4550232E-05 5 0.2450141E-06 6 0.1469575E-07 7 0.2552973E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4904120E-15 1 0.5419224E-03 2 0.3437712E-03 3 0.1393045E-04 4 0.2117977E-05 5 0.2702710E-06 6 0.4187990E-08 7 0.2759667E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.8350771E-14 1 0.1537853E-03 2 0.2592047E-03 3 0.5045287E-04 4 0.1143470E-05 5 0.5323996E-07 6 0.1341902E-07 7 0.6141775E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2470726E-07 1 0.2923893E-05 2 0.3142761E-04 3 0.2791318E-04 4 0.2650519E-05 5 0.1323597E-06 6 0.3556155E-07 7 0.4189536E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.5726626E-15 1 0.7338363E-07 2 0.2629655E-05 3 0.4919236E-05 4 0.1183391E-05 5 0.6195386E-07 6 0.7641540E-07 7 0.1732575E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.6010610E-16 1 0.1606153E-08 2 0.7611142E-07 3 0.3849057E-06 4 0.2086563E-06 5 0.2090995E-07 6 0.6891026E-08 7 0.3398566E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2018279E-16 1 0.3946982E-09 2 0.1158702E-09 3 0.4430425E-09 4 0.7468730E-09 5 0.5571534E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.6068176E-08 1 0.1687951E-07 2 0.3559112E-07 3 0.5565812E-08 4 0.3602440E-07 5 0.2351153E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1152467E-16 1 0.9192387E-07 2 0.1279488E-06 3 0.6337689E-07 4 0.2588857E-07 5 0.4782764E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1393426E-16 1 0.4628417E-05 2 0.8027767E-05 3 0.1367427E-05 4 0.1615590E-05 5 0.2289141E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1457657E-06 1 0.2456080E-04 2 0.3833918E-04 3 0.5179400E-05 4 0.2756962E-06 5 0.2720184E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2424178E-15 1 0.4283531E-02 2 0.1240451E-02 3 0.4520061E-04 4 0.3911793E-05 5 0.1169214E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1376162E-16 1 0.1147108E-02 2 0.2290742E-03 3 0.9104084E-05 4 0.1851708E-06 5 0.3241343E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.6204509E+00 1 0.3049419E+00 2 0.2794665E-01 3 0.8531692E-03 4 0.1506621E-04 5 0.1244162E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2265806E-16 1 0.1147108E-02 2 0.2290742E-03 3 0.9104084E-05 4 0.1851708E-06 5 0.3241344E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2804455E-15 1 0.4283531E-02 2 0.1240451E-02 3 0.4520061E-04 4 0.3911794E-05 5 0.1169214E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1457655E-06 1 0.2456080E-04 2 0.3833918E-04 3 0.5179399E-05 4 0.2756962E-06 5 0.2720184E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.8316018E-17 1 0.4628417E-05 2 0.8027767E-05 3 0.1367427E-05 4 0.1615590E-05 5 0.2289141E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2309306E-16 1 0.9192388E-07 2 0.1279488E-06 3 0.6337689E-07 4 0.2588857E-07 5 0.4782764E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6068177E-08 1 0.1687951E-07 2 0.3559113E-07 3 0.5565816E-08 4 0.3602439E-07 5 0.2351152E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1498044E-16 1 0.3946984E-09 2 0.1158704E-09 3 0.4430419E-09 4 0.7468725E-09 5 0.5571534E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1989121E-17 1 0.6892264E-07 2 0.2377250E-07 3 0.3867439E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.5458331E-06 1 0.3647082E-06 2 0.6618907E-07 3 0.4792203E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3841007E-17 1 0.6892263E-07 2 0.2377250E-07 3 0.3867441E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2286619E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.2594516E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.4304383E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.4559411E-08 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1023222E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.3714886E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.2286641E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9894446 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.384876 average diffraction energy (ev) = 0.003737 the reaction probability = 0.1055539D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42328815D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1005537E+01 0.3998608E-02 0.3772701E+00 1 0.5152600E-05 0.9031936E-02 0.3581171E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1519272E-03 0 26 1 0 0.3439896E-02 0 31 1 1 0.1519272E-03 0 13 3 -3 0.6345295E-05 0 17 3 -2 0.2181804E-03 0 22 3 -1 0.1277075E-02 0 27 3 0 0.8793412E-02 0 32 3 1 0.1277075E-02 0 36 3 2 0.2181803E-03 0 40 3 3 0.6345279E-05 0 7 5 -5 0.8906429E-05 0 10 5 -4 0.6647677E-04 0 14 5 -3 0.3904384E-03 0 18 5 -2 0.2032537E-02 0 23 5 -1 0.2559400E-02 0 28 5 0 0.3066721E-01 0 33 5 1 0.2559399E-02 0 37 5 2 0.2032537E-02 0 41 5 3 0.3904384E-03 0 44 5 4 0.6647677E-04 0 47 5 5 0.8906422E-05 0 3 7 -7 0.1650325E-07 0 5 7 -6 0.1730047E-06 0 8 7 -5 0.1746545E-05 0 11 7 -4 0.4882424E-04 0 15 7 -3 0.3538688E-03 0 19 7 -2 0.1160008E-01 0 24 7 -1 0.3091688E-02 0 29 7 0 0.9190125E+00 0 34 7 1 0.3091688E-02 0 38 7 2 0.1160008E-01 0 42 7 3 0.3538688E-03 0 45 7 4 0.4882424E-04 0 48 7 5 0.1746544E-05 0 50 7 6 0.1730045E-06 0 52 7 7 0.1650320E-07 0 1 9 -9 0.4470521E-11 0 2 9 -8 0.2025765E-10 0 4 9 -7 0.2012925E-09 0 6 9 -6 0.9796444E-07 0 9 9 -5 0.1062233E-08 0 12 9 -4 0.4819527E-06 0 16 9 -3 0.8589258E-07 0 20 9 -2 0.1091912E-06 0 25 9 -1 0.3295735E-06 0 30 9 0 0.6218905E-05 0 35 9 1 0.3295735E-06 0 39 9 2 0.1091912E-06 0 43 9 3 0.8589256E-07 0 46 9 4 0.4819526E-06 0 49 9 5 0.1062233E-08 0 51 9 6 0.9796443E-07 0 53 9 7 0.2012926E-09 0 54 9 8 0.2025766E-10 0 55 9 9 0.4470488E-11 1 21 1 -1 0.4525016E-06 1 26 1 0 0.2714118E-05 1 31 1 1 0.4525017E-06 1 13 3 -3 0.6180376E-08 1 17 3 -2 0.4412049E-07 1 22 3 -1 0.1722182E-06 1 27 3 0 0.1088440E-05 1 32 3 1 0.1722182E-06 1 36 3 2 0.4412048E-07 1 40 3 3 0.6180374E-08 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.5431340E-16 1 0.3885916E-04 2 0.6137047E-04 3 0.4769791E-04 4 0.3773594E-05 5 0.1312387E-06 6 0.6392761E-07 7 0.2748842E-07 8 0.2311443E-08 9 0.1144128E-08 v, j, mj = 0 1 0 0 0.1431304E-03 1 0.1288110E-02 2 0.1773788E-02 3 0.2310638E-03 4 0.2712829E-05 5 0.8929326E-06 6 0.1432976E-06 7 0.4281042E-07 8 0.7419045E-08 9 0.4021895E-08 v, j, mj = 0 1 1 0 0.4596607E-15 1 0.3885915E-04 2 0.6137047E-04 3 0.4769792E-04 4 0.3773593E-05 5 0.1312420E-06 6 0.6392935E-07 7 0.2748835E-07 8 0.2311451E-08 9 0.1144132E-08 v, j, mj = 0 3 -3 0 0.5665637E-08 1 0.4402146E-06 2 0.1146006E-05 3 0.1611449E-05 4 0.2287399E-05 5 0.7544801E-06 6 0.9103063E-07 7 0.7160034E-08 8 0.1205094E-08 9 0.6840050E-09 v, j, mj = 0 3 -2 0 0.2358514E-13 1 0.5005683E-04 2 0.8679555E-04 3 0.5782164E-04 4 0.2137942E-04 5 0.2069744E-05 6 0.4526027E-07 7 0.7235626E-08 8 0.4319857E-08 9 0.3532333E-09 v, j, mj = 0 3 -1 0 0.4810383E-16 1 0.3975115E-03 2 0.4991928E-03 3 0.3394009E-03 4 0.3857732E-04 5 0.2235891E-05 6 0.1417989E-06 7 0.1212434E-07 8 0.1233305E-08 9 0.9815093E-09 v, j, mj = 0 3 0 0 0.1733256E-02 1 0.4268316E-02 2 0.2465932E-02 3 0.3071384E-03 4 0.1775771E-04 5 0.8190291E-06 6 0.1719708E-06 7 0.7830610E-08 8 0.1259557E-07 9 0.5223344E-09 v, j, mj = 0 3 1 0 0.1212169E-14 1 0.3975115E-03 2 0.4991928E-03 3 0.3394009E-03 4 0.3857734E-04 5 0.2235894E-05 6 0.1418003E-06 7 0.1212436E-07 8 0.1233302E-08 9 0.9815101E-09 v, j, mj = 0 3 2 0 0.2134697E-13 1 0.5005682E-04 2 0.8679554E-04 3 0.5782163E-04 4 0.2137942E-04 5 0.2069742E-05 6 0.4526078E-07 7 0.7235654E-08 8 0.4319858E-08 9 0.3532333E-09 v, j, mj = 0 3 3 0 0.5662499E-08 1 0.4402160E-06 2 0.1146001E-05 3 0.1611448E-05 4 0.2287392E-05 5 0.7544805E-06 6 0.9103062E-07 7 0.7160025E-08 8 0.1205095E-08 9 0.6840095E-09 v, j, mj = 0 5 -5 0 0.2868250E-15 1 0.9354409E-08 2 0.8328068E-06 3 0.4656231E-05 4 0.3029504E-05 5 0.3355666E-06 6 0.3281302E-07 7 0.8738884E-08 8 0.1413496E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1126670E-13 1 0.2830061E-06 2 0.1831179E-04 3 0.3632289E-04 4 0.1089642E-04 5 0.6206287E-06 6 0.3094869E-07 7 0.7050164E-08 8 0.4031961E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.3531555E-07 1 0.1960136E-04 2 0.1966117E-03 3 0.1569362E-03 4 0.1660153E-04 5 0.5970466E-06 6 0.4255353E-07 7 0.1124609E-07 8 0.1387530E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1567437E-12 1 0.7052818E-03 2 0.1114730E-02 3 0.2048257E-03 4 0.7453278E-05 5 0.2211945E-06 6 0.1566621E-07 7 0.4593257E-08 8 0.4359854E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1600079E-14 1 0.1581752E-02 2 0.9089809E-03 3 0.5768587E-04 4 0.1034029E-04 5 0.6238301E-06 6 0.9882572E-08 7 0.5395601E-08 8 0.1284703E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1740035E-01 1 0.1290198E-01 2 0.1522754E-03 3 0.1886744E-03 4 0.2364590E-04 5 0.1947024E-06 6 0.7260392E-07 7 0.6297997E-08 8 0.9523197E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4470262E-14 1 0.1581752E-02 2 0.9089808E-03 3 0.5768588E-04 4 0.1034030E-04 5 0.6238284E-06 6 0.9882676E-08 7 0.5395597E-08 8 0.1284703E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1517329E-12 1 0.7052817E-03 2 0.1114730E-02 3 0.2048257E-03 4 0.7453274E-05 5 0.2211953E-06 6 0.1566623E-07 7 0.4593255E-08 8 0.4359853E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.3530713E-07 1 0.1960136E-04 2 0.1966117E-03 3 0.1569362E-03 4 0.1660153E-04 5 0.5970468E-06 6 0.4255360E-07 7 0.1124609E-07 8 0.1387529E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1190754E-13 1 0.2829940E-06 2 0.1831180E-04 3 0.3632289E-04 4 0.1089642E-04 5 0.6206286E-06 6 0.3094869E-07 7 0.7050164E-08 8 0.4031961E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.9403204E-15 1 0.9352507E-08 2 0.8328079E-06 3 0.4656229E-05 4 0.3029502E-05 5 0.3355661E-06 6 0.3281300E-07 7 0.8738887E-08 8 0.1413496E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.5706161E-17 1 0.4632384E-09 2 0.1635590E-08 3 0.2769590E-08 4 0.1456255E-08 5 0.7186476E-08 6 0.2992100E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.3021953E-08 1 0.9246953E-08 2 0.5131753E-07 3 0.3658776E-07 4 0.3922966E-07 5 0.1018539E-07 6 0.2341545E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.3374092E-16 1 0.2042893E-06 2 0.7052002E-06 3 0.6024850E-06 4 0.8958140E-07 5 0.1395217E-06 6 0.5467319E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.9477929E-15 1 0.1023182E-04 2 0.2744862E-04 3 0.8880660E-05 4 0.2166377E-05 5 0.7444859E-07 6 0.2231240E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2223736E-06 1 0.9011689E-04 2 0.2262729E-03 3 0.3623434E-04 4 0.8192646E-06 5 0.1955336E-06 6 0.7560168E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1177172E-13 1 0.8817093E-02 2 0.2650479E-02 3 0.1230479E-03 4 0.9223832E-05 5 0.5518623E-07 6 0.1828525E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.8624946E-15 1 0.2664810E-02 2 0.3994443E-03 3 0.2674346E-04 4 0.6761572E-06 5 0.1308360E-07 6 0.1872528E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.6368050E+00 1 0.2496663E+00 2 0.3098936E-01 3 0.1516279E-02 4 0.3519295E-04 5 0.3504333E-06 6 0.5000538E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.7199875E-15 1 0.2664809E-02 2 0.3994444E-03 3 0.2674346E-04 4 0.6761573E-06 5 0.1308359E-07 6 0.1872525E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1196671E-13 1 0.8817093E-02 2 0.2650479E-02 3 0.1230479E-03 4 0.9223832E-05 5 0.5518624E-07 6 0.1828525E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2223622E-06 1 0.9011688E-04 2 0.2262729E-03 3 0.3623434E-04 4 0.8192646E-06 5 0.1955336E-06 6 0.7560169E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.5474466E-15 1 0.1023182E-04 2 0.2744862E-04 3 0.8880660E-05 4 0.2166377E-05 5 0.7444858E-07 6 0.2231240E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.3261799E-16 1 0.2042891E-06 2 0.7052001E-06 3 0.6024849E-06 4 0.8958134E-07 5 0.1395216E-06 6 0.5467322E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.3021960E-08 1 0.9246983E-08 2 0.5131739E-07 3 0.3658775E-07 4 0.3922963E-07 5 0.1018539E-07 6 0.2341544E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2953267E-17 1 0.4632084E-09 2 0.1635571E-08 3 0.2769581E-08 4 0.1456260E-08 5 0.7186480E-08 6 0.2992100E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1644996E-12 1 0.2153313E-12 2 0.4090690E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.8746363E-16 1 0.8288958E-11 2 0.1196861E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.2988887E-17 1 0.1607682E-09 2 0.4052429E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.7901652E-08 1 0.8197575E-07 2 0.8087036E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1986463E-18 1 0.8851098E-09 2 0.1771237E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.6208535E-17 1 0.4684780E-06 2 0.1347466E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.2044861E-08 1 0.7899876E-07 2 0.4848961E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.2253823E-16 1 0.1050090E-06 2 0.4182192E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1397262E-17 1 0.2979852E-06 2 0.3158834E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3888307E-05 1 0.2177201E-05 2 0.1533969E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.1462644E-17 1 0.2979852E-06 2 0.3158833E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1475966E-16 1 0.1050090E-06 2 0.4182189E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2044860E-08 1 0.7899875E-07 2 0.4848958E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.7143978E-17 1 0.4684780E-06 2 0.1347466E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.2865647E-18 1 0.8851094E-09 2 0.1771237E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.7901650E-08 1 0.8197575E-07 2 0.8087036E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1294851E-17 1 0.1607682E-09 2 0.4052439E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.8983610E-16 1 0.8288996E-11 2 0.1196857E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1644992E-12 1 0.2153177E-12 2 0.4090671E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1369308E-16 1 0.4017305E-06 2 0.3181033E-07 3 0.1325651E-07 4 0.5704320E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1760282E-05 1 0.5067311E-06 2 0.3924654E-06 3 0.4403843E-07 4 0.1060102E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.2424886E-16 1 0.4017305E-06 2 0.3181034E-07 3 0.1325652E-07 4 0.5704323E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.6499497E-10 1 0.4541261E-09 2 0.3807640E-08 3 0.1853615E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1110192E-16 1 0.1873993E-07 2 0.2054282E-07 3 0.4837737E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1060817E-17 1 0.8938636E-07 2 0.7932046E-07 3 0.3511349E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.3950870E-06 1 0.5943792E-06 2 0.9769243E-07 3 0.1281607E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.7313287E-18 1 0.8938636E-07 2 0.7932049E-07 3 0.3511349E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1430583E-16 1 0.1873993E-07 2 0.2054281E-07 3 0.4837737E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.6499439E-10 1 0.4541258E-09 2 0.3807641E-08 3 0.1853614E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0055420 average vibrational energy (ev) = 0.000003 average rotational energy (ev) = 0.377268 average diffraction energy (ev) = 0.003999 the reaction probability = -0.5541985D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41757387D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9964335E+00 0.4282265E-02 0.3647794E+00 1 0.8558898E-04 0.1197686E-01 0.3328814E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3648773E-03 0 26 1 0 0.7570330E-02 0 31 1 1 0.3648774E-03 0 13 3 -3 0.1977930E-04 0 17 3 -2 0.4855525E-03 0 22 3 -1 0.2964990E-02 0 27 3 0 0.1623639E-01 0 32 3 1 0.2964990E-02 0 36 3 2 0.4855525E-03 0 40 3 3 0.1977927E-04 0 7 5 -5 0.6683372E-04 0 10 5 -4 0.3419296E-03 0 14 5 -3 0.1595433E-02 0 18 5 -2 0.6058709E-02 0 23 5 -1 0.5427405E-02 0 28 5 0 0.5454474E-01 0 33 5 1 0.5427405E-02 0 37 5 2 0.6058709E-02 0 41 5 3 0.1595433E-02 0 44 5 4 0.3419296E-03 0 47 5 5 0.6683370E-04 0 3 7 -7 0.5630959E-07 0 5 7 -6 0.5943397E-06 0 8 7 -5 0.1311124E-04 0 11 7 -4 0.2111461E-03 0 15 7 -3 0.1552397E-02 0 19 7 -2 0.2154644E-01 0 24 7 -1 0.5741361E-02 0 29 7 0 0.8251684E+00 0 34 7 1 0.5741361E-02 0 38 7 2 0.2154644E-01 0 42 7 3 0.1552397E-02 0 45 7 4 0.2111462E-03 0 48 7 5 0.1311123E-04 0 50 7 6 0.5943356E-06 0 52 7 7 0.5630717E-07 0 1 9 -9 0.6665097E-10 0 2 9 -8 0.2970814E-09 0 4 9 -7 0.1292106E-08 0 6 9 -6 0.2705623E-07 0 9 9 -5 0.8273628E-08 0 12 9 -4 0.5158449E-06 0 16 9 -3 0.2621784E-06 0 20 9 -2 0.9285211E-06 0 25 9 -1 0.6218851E-05 0 30 9 0 0.1164928E-03 0 35 9 1 0.6218852E-05 0 39 9 2 0.9285206E-06 0 43 9 3 0.2621783E-06 0 46 9 4 0.5158449E-06 0 49 9 5 0.8273617E-08 0 51 9 6 0.2705623E-07 0 53 9 7 0.1292106E-08 0 54 9 8 0.2970811E-09 0 55 9 9 0.6665113E-10 1 21 1 -1 0.1623459E-04 1 26 1 0 0.3066108E-04 1 31 1 1 0.1623459E-04 1 13 3 -3 0.3569389E-07 1 17 3 -2 0.4931299E-06 1 22 3 -1 0.2439903E-05 1 27 3 0 0.1652049E-04 1 32 3 1 0.2439903E-05 1 36 3 2 0.4931299E-06 1 40 3 3 0.3569387E-07 1 7 5 -5 0.9463609E-19 1 10 5 -4 0.1030678E-20 1 14 5 -3 0.1648154E-11 1 18 5 -2 0.3198879E-18 1 23 5 -1 0.1902579E-19 1 28 5 0 0.7709608E-09 1 33 5 1 0.1491910E-19 1 37 5 2 0.2150286E-18 1 41 5 3 0.1648137E-11 1 44 5 4 0.9571882E-20 1 47 5 5 0.1384754E-18 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.4360813E-15 1 0.1030363E-03 2 0.1377795E-03 3 0.1195803E-03 4 0.4027277E-05 5 0.2446563E-06 6 0.1364682E-06 7 0.5955192E-07 8 0.1235147E-07 9 0.9653320E-09 v, j, mj = 0 1 0 0 0.1147102E-03 1 0.2797588E-02 2 0.4257856E-02 3 0.3939990E-03 4 0.4311555E-05 5 0.1449294E-05 6 0.3625866E-06 7 0.4398787E-07 8 0.5674993E-08 9 0.2967519E-08 v, j, mj = 0 1 1 0 0.5684508E-14 1 0.1030363E-03 2 0.1377795E-03 3 0.1195803E-03 4 0.4027273E-05 5 0.2446683E-06 6 0.1364736E-06 7 0.5955219E-07 8 0.1235158E-07 9 0.9653214E-09 v, j, mj = 0 3 -3 0 0.1226496E-07 1 0.3682367E-05 2 0.1318594E-04 3 0.8651301E-06 4 0.1043641E-05 5 0.7521008E-06 6 0.2067938E-06 7 0.2717640E-07 8 0.2746188E-08 9 0.1138252E-08 v, j, mj = 0 3 -2 0 0.1395831E-12 1 0.1895015E-03 2 0.1752343E-03 3 0.8276804E-04 4 0.3331186E-04 5 0.4406566E-05 6 0.3167880E-06 7 0.1090724E-07 8 0.1943557E-08 9 0.6778342E-09 v, j, mj = 0 3 -1 0 0.6798212E-16 1 0.1100354E-02 2 0.1072833E-02 3 0.7465151E-03 4 0.4018267E-04 5 0.4845323E-05 6 0.2404909E-06 7 0.1646934E-07 8 0.1925980E-08 9 0.3806341E-09 v, j, mj = 0 3 0 0 0.2864929E-02 1 0.7575631E-02 2 0.5148913E-02 3 0.6226516E-03 4 0.2121126E-04 5 0.2629674E-05 6 0.3809463E-06 7 0.3885426E-07 8 0.2058250E-08 9 0.3162492E-08 v, j, mj = 0 3 1 0 0.9064525E-14 1 0.1100354E-02 2 0.1072833E-02 3 0.7465151E-03 4 0.4018268E-04 5 0.4845324E-05 6 0.2404992E-06 7 0.1646932E-07 8 0.1925999E-08 9 0.3806323E-09 v, j, mj = 0 3 2 0 0.1344969E-12 1 0.1895015E-03 2 0.1752343E-03 3 0.8276802E-04 4 0.3331185E-04 5 0.4406560E-05 6 0.3167884E-06 7 0.1090750E-07 8 0.1943545E-08 9 0.6778367E-09 v, j, mj = 0 3 3 0 0.1225085E-07 1 0.3682369E-05 2 0.1318593E-04 3 0.8651329E-06 4 0.1043631E-05 5 0.7520981E-06 6 0.2067934E-06 7 0.2717623E-07 8 0.2746186E-08 9 0.1138245E-08 v, j, mj = 0 5 -5 0 0.2902097E-14 1 0.9768624E-07 2 0.6328664E-05 3 0.3234072E-04 4 0.2389826E-04 5 0.4040644E-05 6 0.1190531E-06 7 0.7167173E-08 8 0.1523274E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1047589E-12 1 0.1068306E-05 2 0.1055711E-03 3 0.1796499E-03 4 0.5186458E-04 5 0.3691752E-05 6 0.7326089E-07 7 0.8310595E-08 8 0.2448968E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.9784814E-07 1 0.1092638E-03 2 0.8959172E-03 3 0.5399963E-03 4 0.4852951E-04 5 0.1582802E-05 6 0.3488062E-07 7 0.7923687E-08 8 0.2523655E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1294438E-11 1 0.2419803E-02 2 0.3091911E-02 3 0.5142733E-03 4 0.3141240E-04 5 0.1272523E-05 6 0.2901550E-07 7 0.6255895E-08 8 0.1425902E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4713466E-14 1 0.3368108E-02 2 0.1603196E-02 3 0.4021876E-03 4 0.5246696E-04 5 0.1416486E-05 6 0.2059729E-07 7 0.5937968E-08 8 0.3207741E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.3469293E-01 1 0.1742730E-01 2 0.1406603E-02 3 0.9600810E-03 4 0.5738205E-04 5 0.3074947E-06 6 0.1247482E-06 7 0.8025812E-08 8 0.7572816E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2624231E-13 1 0.3368109E-02 2 0.1603196E-02 3 0.4021876E-03 4 0.5246697E-04 5 0.1416486E-05 6 0.2059819E-07 7 0.5937958E-08 8 0.3207740E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.1265226E-11 1 0.2419803E-02 2 0.3091911E-02 3 0.5142732E-03 4 0.3141236E-04 5 0.1272527E-05 6 0.2901557E-07 7 0.6255903E-08 8 0.1425901E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.9783111E-07 1 0.1092638E-03 2 0.8959170E-03 3 0.5399963E-03 4 0.4852952E-04 5 0.1582801E-05 6 0.3488073E-07 7 0.7923657E-08 8 0.2523654E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1058733E-12 1 0.1068261E-05 2 0.1055711E-03 3 0.1796499E-03 4 0.5186458E-04 5 0.3691755E-05 6 0.7326066E-07 7 0.8310573E-08 8 0.2448966E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.7602801E-14 1 0.9767364E-07 2 0.6328670E-05 3 0.3234071E-04 4 0.2389826E-04 5 0.4040642E-05 6 0.1190528E-06 7 0.7167176E-08 8 0.1523275E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1290438E-15 1 0.3568817E-08 2 0.1242203E-07 3 0.2451532E-07 4 0.6030964E-08 5 0.5179406E-08 6 0.3093144E-08 7 0.1499909E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.3209936E-08 1 0.1931105E-07 2 0.1047554E-06 3 0.2954882E-06 4 0.1343463E-06 5 0.1023937E-07 6 0.2405893E-07 7 0.2930446E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1086143E-14 1 0.3179607E-06 2 0.5088825E-05 3 0.6429225E-05 4 0.1150338E-05 5 0.9297403E-07 6 0.3099946E-07 7 0.9177749E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2768860E-13 1 0.2183020E-04 2 0.1174666E-03 3 0.6498780E-04 4 0.6779131E-05 5 0.6912694E-07 6 0.1243047E-07 7 0.8898723E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4042519E-06 1 0.3242675E-03 2 0.1074771E-02 3 0.1503294E-03 4 0.2314213E-05 5 0.2915607E-06 6 0.1726281E-07 7 0.2270993E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3391420E-12 1 0.1731134E-01 2 0.4053156E-02 3 0.1581932E-03 4 0.2332729E-04 5 0.3135156E-06 6 0.1125083E-06 7 0.1227049E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.9665362E-14 1 0.5340286E-02 2 0.3281062E-03 3 0.7212855E-04 4 0.7724239E-06 5 0.6622771E-07 6 0.2154448E-08 7 0.2873310E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.6608235E+00 1 0.1333021E+00 2 0.2953305E-01 3 0.1456933E-02 4 0.5241505E-04 5 0.3721334E-06 6 0.2741535E-07 7 0.1811364E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1007412E-13 1 0.5340285E-02 2 0.3281064E-03 3 0.7212855E-04 4 0.7724236E-06 5 0.6622768E-07 6 0.2154439E-08 7 0.2873298E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3380977E-12 1 0.1731134E-01 2 0.4053156E-02 3 0.1581932E-03 4 0.2332729E-04 5 0.3135159E-06 6 0.1125082E-06 7 0.1227049E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4041452E-06 1 0.3242674E-03 2 0.1074771E-02 3 0.1503294E-03 4 0.2314212E-05 5 0.2915608E-06 6 0.1726281E-07 7 0.2270992E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2814492E-13 1 0.2183021E-04 2 0.1174666E-03 3 0.6498780E-04 4 0.6779134E-05 5 0.6912691E-07 6 0.1243047E-07 7 0.8898726E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2156171E-15 1 0.3179550E-06 2 0.5088826E-05 3 0.6429221E-05 4 0.1150337E-05 5 0.9297403E-07 6 0.3099948E-07 7 0.9177758E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.3209999E-08 1 0.1931103E-07 2 0.1047524E-06 3 0.2954878E-06 4 0.1343456E-06 5 0.1023936E-07 6 0.2405894E-07 7 0.2930445E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.3591142E-16 1 0.3568109E-08 2 0.1242093E-07 3 0.2451463E-07 4 0.6031027E-08 5 0.5179419E-08 6 0.3093146E-08 7 0.1499909E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.6543013E-12 1 0.1201177E-10 2 0.9689132E-11 3 0.4408483E-10 4 0.2109373E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1972895E-16 1 0.1144628E-09 2 0.9751018E-10 3 0.8456114E-10 4 0.5473112E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.2761594E-18 1 0.6872748E-09 2 0.4228450E-09 3 0.1815665E-09 4 0.4197635E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1777553E-07 1 0.3202080E-08 2 0.3177187E-08 3 0.2898770E-08 4 0.2666009E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.9928691E-18 1 0.5784447E-08 2 0.2133807E-08 3 0.3524060E-09 4 0.2967870E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1168001E-15 1 0.4196218E-06 2 0.9082458E-07 3 0.5395958E-08 4 0.2581472E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3250392E-09 1 0.1449022E-06 2 0.2912588E-07 3 0.8779895E-07 4 0.2631772E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3445894E-16 1 0.6325971E-06 2 0.2509847E-06 3 0.4489144E-07 4 0.4779741E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2525490E-17 1 0.5233762E-05 2 0.8678773E-06 3 0.1171768E-06 4 0.3481233E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.6962214E-04 1 0.4539927E-04 2 0.1265337E-05 3 0.2056490E-06 4 0.3917761E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.1353740E-16 1 0.5233763E-05 2 0.8678774E-06 3 0.1171769E-06 4 0.3481266E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2036699E-16 1 0.6325968E-06 2 0.2509845E-06 3 0.4489146E-07 4 0.4779724E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3250292E-09 1 0.1449022E-06 2 0.2912589E-07 3 0.8779894E-07 4 0.2631762E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.5036602E-16 1 0.4196218E-06 2 0.9082459E-07 3 0.5395957E-08 4 0.2581469E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.5622755E-18 1 0.5784433E-08 2 0.2133811E-08 3 0.3524047E-09 4 0.2967897E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1777553E-07 1 0.3202080E-08 2 0.3177186E-08 3 0.2898769E-08 4 0.2666007E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.3438025E-18 1 0.6872755E-09 2 0.4228443E-09 3 0.1815666E-09 4 0.4197653E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.2182581E-16 1 0.1144627E-09 2 0.9750979E-10 3 0.8456132E-10 4 0.5473223E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.6543877E-12 1 0.1201181E-10 2 0.9689382E-11 3 0.4408461E-10 4 0.2109352E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.4886665E-17 1 0.1167985E-04 2 0.3884509E-05 3 0.6568098E-06 4 0.1144210E-07 5 0.1975107E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.9375813E-05 1 0.1313912E-04 2 0.7444786E-05 3 0.6779900E-06 4 0.1705509E-07 5 0.6317810E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1013776E-16 1 0.1167985E-04 2 0.3884509E-05 3 0.6568099E-06 4 0.1144210E-07 5 0.1975109E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1387835E-09 1 0.2444717E-08 2 0.1489821E-07 3 0.1487966E-07 4 0.3332523E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.5275875E-17 1 0.2375540E-06 2 0.2265232E-06 3 0.2643336E-07 4 0.2619296E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.3432827E-17 1 0.1952754E-05 2 0.4741755E-06 3 0.1061629E-07 4 0.2357515E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.7373075E-05 1 0.8120139E-05 2 0.9966877E-06 3 0.2852382E-07 4 0.2069324E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1122610E-16 1 0.1952754E-05 2 0.4741755E-06 3 0.1061627E-07 4 0.2357518E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2339973E-16 1 0.2375541E-06 2 0.2265232E-06 3 0.2643336E-07 4 0.2619296E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1387753E-09 1 0.2444700E-08 2 0.1489822E-07 3 0.1487965E-07 4 0.3332524E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9965191 average vibrational energy (ev) = 0.000044 average rotational energy (ev) = 0.364751 average diffraction energy (ev) = 0.004283 the reaction probability = 0.3480870D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41185958D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9956779E+00 0.5355671E-02 0.3503729E+00 1 0.1118293E-02 0.1822847E-01 0.2598925E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.7069902E-03 0 26 1 0 0.1279714E-01 0 31 1 1 0.7069904E-03 0 13 3 -3 0.1438061E-03 0 17 3 -2 0.1039261E-02 0 22 3 -1 0.4758905E-02 0 27 3 0 0.2242483E-01 0 32 3 1 0.4758906E-02 0 36 3 2 0.1039261E-02 0 40 3 3 0.1438061E-03 0 7 5 -5 0.2818604E-03 0 10 5 -4 0.1215319E-02 0 14 5 -3 0.4406970E-02 0 18 5 -2 0.1253987E-01 0 23 5 -1 0.9046439E-02 0 28 5 0 0.7736523E-01 0 33 5 1 0.9046438E-02 0 37 5 2 0.1253987E-01 0 41 5 3 0.4406969E-02 0 44 5 4 0.1215319E-02 0 47 5 5 0.2818604E-03 0 3 7 -7 0.3527666E-06 0 5 7 -6 0.5443327E-05 0 8 7 -5 0.1072954E-03 0 11 7 -4 0.9670673E-03 0 15 7 -3 0.5146885E-02 0 19 7 -2 0.3517635E-01 0 24 7 -1 0.9146697E-02 0 29 7 0 0.7124420E+00 0 34 7 1 0.9146697E-02 0 38 7 2 0.3517635E-01 0 42 7 3 0.5146884E-02 0 45 7 4 0.9670674E-03 0 48 7 5 0.1072954E-03 0 50 7 6 0.5443312E-05 0 52 7 7 0.3527566E-06 0 1 9 -9 0.4620706E-09 0 2 9 -8 0.1375801E-08 0 4 9 -7 0.7736738E-08 0 6 9 -6 0.1157436E-06 0 9 9 -5 0.2544676E-07 0 12 9 -4 0.1787110E-05 0 16 9 -3 0.1425967E-05 0 20 9 -2 0.3330634E-05 0 25 9 -1 0.8423109E-04 0 30 9 0 0.1087831E-02 0 35 9 1 0.8423110E-04 0 39 9 2 0.3330637E-05 0 43 9 3 0.1425967E-05 0 46 9 4 0.1787111E-05 0 49 9 5 0.2544690E-07 0 51 9 6 0.1157436E-06 0 53 9 7 0.7736766E-08 0 54 9 8 0.1375824E-08 0 55 9 9 0.4621010E-09 1 21 1 -1 0.4211327E-03 1 26 1 0 0.9810197E-04 1 31 1 1 0.4211327E-03 1 13 3 -3 0.8843885E-06 1 17 3 -2 0.1399359E-04 1 22 3 -1 0.3281791E-04 1 27 3 0 0.8156956E-04 1 32 3 1 0.3281791E-04 1 36 3 2 0.1399359E-04 1 40 3 3 0.8843934E-06 1 7 5 -5 0.6504194E-09 1 10 5 -4 0.1470867E-08 1 14 5 -3 0.1628652E-08 1 18 5 -2 0.3667344E-07 1 23 5 -1 0.3928895E-07 1 28 5 0 0.8051456E-06 1 33 5 1 0.3928890E-07 1 37 5 2 0.3667337E-07 1 41 5 3 0.1628661E-08 1 44 5 4 0.1470870E-08 1 47 5 5 0.6504207E-09 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.3328671E-14 1 0.2731394E-03 2 0.2082113E-03 3 0.2228298E-03 4 0.7779193E-06 5 0.1504469E-05 6 0.3399166E-06 7 0.1561204E-06 8 0.3025313E-07 9 0.1094622E-08 v, j, mj = 0 1 0 0 0.7499740E-04 1 0.4294695E-02 2 0.7449274E-02 3 0.9461217E-03 4 0.2984078E-04 5 0.1019351E-05 6 0.1131283E-05 7 0.4463432E-07 8 0.8886609E-08 9 0.3592701E-08 v, j, mj = 0 1 1 0 0.1548182E-13 1 0.2731393E-03 2 0.2082114E-03 3 0.2228299E-03 4 0.7779260E-06 5 0.1504477E-05 6 0.3399372E-06 7 0.1561228E-06 8 0.3025327E-07 9 0.1094629E-08 v, j, mj = 0 3 -3 0 0.2477855E-07 1 0.1818237E-04 2 0.9960581E-04 3 0.2098723E-04 4 0.2445971E-05 5 0.1474854E-05 6 0.9486696E-06 7 0.1297338E-06 8 0.5739157E-08 9 0.9345677E-09 v, j, mj = 0 3 -2 0 0.2684061E-12 1 0.5370817E-03 2 0.3991656E-03 3 0.7017521E-04 4 0.2407654E-04 5 0.7827369E-05 6 0.8950867E-06 7 0.3420098E-07 8 0.3114688E-08 9 0.1985603E-08 v, j, mj = 0 3 -1 0 0.2956416E-14 1 0.2353924E-02 2 0.1436357E-02 3 0.9561387E-03 4 0.5955600E-05 5 0.6262963E-05 6 0.2257389E-06 7 0.3626149E-07 8 0.4158268E-08 9 0.7509637E-09 v, j, mj = 0 3 0 0 0.2307974E-02 1 0.1053429E-01 2 0.8160612E-02 3 0.1409781E-02 4 0.4183489E-05 5 0.7448572E-05 6 0.4414005E-06 7 0.9670005E-07 8 0.4478411E-08 9 0.3046224E-08 v, j, mj = 0 3 1 0 0.6501059E-13 1 0.2353924E-02 2 0.1436357E-02 3 0.9561387E-03 4 0.5955507E-05 5 0.6262983E-05 6 0.2257549E-06 7 0.3626074E-07 8 0.4158324E-08 9 0.7509558E-09 v, j, mj = 0 3 2 0 0.2563819E-12 1 0.5370817E-03 2 0.3991659E-03 3 0.7017524E-04 4 0.2407651E-04 5 0.7827352E-05 6 0.8950737E-06 7 0.3420207E-07 8 0.3114649E-08 9 0.1985591E-08 v, j, mj = 0 3 3 0 0.2474001E-07 1 0.1818238E-04 2 0.9960579E-04 3 0.2098726E-04 4 0.2445974E-05 5 0.1474851E-05 6 0.9486671E-06 7 0.1297327E-06 8 0.5739119E-08 9 0.9345734E-09 v, j, mj = 0 5 -5 0 0.1890013E-13 1 0.8438093E-06 2 0.3390520E-04 3 0.1378585E-03 4 0.8965562E-04 5 0.1836188E-04 6 0.1208373E-05 7 0.2503995E-07 8 0.1339236E-08 9 0.6611381E-09 v, j, mj = 0 5 -4 0 0.6148179E-12 1 0.3600648E-05 2 0.4667829E-03 3 0.6025998E-03 4 0.1327244E-03 5 0.9270330E-05 6 0.3312385E-06 7 0.5884029E-08 8 0.3695761E-08 9 0.2978908E-09 v, j, mj = 0 5 -3 0 0.3649208E-06 1 0.4478035E-03 2 0.2771105E-02 3 0.1117058E-02 4 0.6889496E-04 5 0.1652489E-05 6 0.8324243E-07 7 0.5450706E-08 8 0.1997012E-08 9 0.3830130E-09 v, j, mj = 0 5 -2 0 0.5874162E-11 1 0.5960708E-02 2 0.5622952E-02 3 0.8674388E-03 4 0.8638267E-04 5 0.2307457E-05 6 0.7207541E-07 7 0.4427023E-08 8 0.1670211E-08 9 0.9572331E-09 v, j, mj = 0 5 -1 0 0.6216871E-14 1 0.4973258E-02 2 0.2116176E-02 3 0.1837362E-02 4 0.1179977E-03 5 0.1573729E-05 6 0.6147779E-07 7 0.7597337E-08 8 0.1143854E-08 9 0.8942484E-09 v, j, mj = 0 5 0 0 0.4685728E-01 1 0.2040206E-01 2 0.7241650E-02 3 0.2764021E-02 4 0.9973054E-04 5 0.2548086E-06 6 0.2043380E-06 7 0.1849347E-07 8 0.1208767E-07 9 0.1481367E-08 v, j, mj = 0 5 1 0 0.1161189E-12 1 0.4973259E-02 2 0.2116175E-02 3 0.1837362E-02 4 0.1179976E-03 5 0.1573742E-05 6 0.6148113E-07 7 0.7597559E-08 8 0.1143860E-08 9 0.8942568E-09 v, j, mj = 0 5 2 0 0.5760493E-11 1 0.5960708E-02 2 0.5622952E-02 3 0.8674383E-03 4 0.8638262E-04 5 0.2307462E-05 6 0.7207785E-07 7 0.4427021E-08 8 0.1670211E-08 9 0.9572321E-09 v, j, mj = 0 5 3 0 0.3649111E-06 1 0.4478035E-03 2 0.2771105E-02 3 0.1117058E-02 4 0.6889499E-04 5 0.1652480E-05 6 0.8323905E-07 7 0.5450457E-08 8 0.1997014E-08 9 0.3830227E-09 v, j, mj = 0 5 4 0 0.6217844E-12 1 0.3600480E-05 2 0.4667830E-03 3 0.6025998E-03 4 0.1327244E-03 5 0.9270344E-05 6 0.3312369E-06 7 0.5883884E-08 8 0.3695751E-08 9 0.2978905E-09 v, j, mj = 0 5 5 0 0.3838802E-13 1 0.8437579E-06 2 0.3390520E-04 3 0.1378585E-03 4 0.8965561E-04 5 0.1836187E-04 6 0.1208372E-05 7 0.2503994E-07 8 0.1339233E-08 9 0.6611356E-09 v, j, mj = 0 7 -7 0 0.1194220E-14 1 0.2098511E-07 2 0.5542162E-07 3 0.1797022E-06 4 0.6717372E-07 5 0.1658594E-07 6 0.5986073E-08 7 0.6911886E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.3624783E-08 1 0.1014452E-06 2 0.4760220E-06 3 0.3198120E-05 4 0.1547592E-05 5 0.8482480E-07 6 0.1809097E-07 7 0.1360657E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1183856E-13 1 0.2206155E-06 2 0.3627948E-04 3 0.5765977E-04 4 0.1278389E-04 5 0.3146831E-06 6 0.2762802E-07 7 0.9352834E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.4488221E-12 1 0.4923729E-04 2 0.5303381E-03 3 0.3584569E-03 4 0.2883492E-04 5 0.1783218E-06 6 0.2013399E-07 7 0.1660840E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.9176797E-06 1 0.1056731E-02 2 0.3771237E-02 3 0.3158710E-03 4 0.1724925E-05 5 0.3776584E-06 6 0.1976263E-07 7 0.5579825E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4541555E-11 1 0.3114559E-01 2 0.3750653E-02 3 0.2285496E-03 4 0.5093094E-04 5 0.5759106E-06 6 0.4206860E-07 7 0.9987661E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4415499E-13 1 0.8773759E-02 2 0.2347111E-03 3 0.1346451E-03 4 0.3233021E-05 5 0.3371399E-06 6 0.8662205E-08 7 0.3704996E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.6541466E+00 1 0.3201040E-01 2 0.2512720E-01 3 0.1108693E-02 4 0.4865171E-04 5 0.4761664E-06 6 0.2628567E-07 7 0.4607510E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.4882891E-13 1 0.8773757E-02 2 0.2347118E-03 3 0.1346450E-03 4 0.3233028E-05 5 0.3371410E-06 6 0.8662172E-08 7 0.3705002E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4489011E-11 1 0.3114559E-01 2 0.3750653E-02 3 0.2285498E-03 4 0.5093094E-04 5 0.5759127E-06 6 0.4206823E-07 7 0.9987669E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.9171395E-06 1 0.1056731E-02 2 0.3771237E-02 3 0.3158711E-03 4 0.1724919E-05 5 0.3776597E-06 6 0.1976255E-07 7 0.5579823E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.4588929E-12 1 0.4923728E-04 2 0.5303382E-03 3 0.3584569E-03 4 0.2883495E-04 5 0.1783217E-06 6 0.2013397E-07 7 0.1660840E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.7070390E-14 1 0.2205802E-06 2 0.3627950E-04 3 0.5765973E-04 4 0.1278388E-04 5 0.3146830E-06 6 0.2762803E-07 7 0.9352843E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.3624677E-08 1 0.1014453E-06 2 0.4760138E-06 3 0.3198122E-05 4 0.1547585E-05 5 0.8482455E-07 6 0.1809101E-07 7 0.1360657E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.7468661E-15 1 0.2098096E-07 2 0.5541945E-07 3 0.1796993E-06 4 0.6717305E-07 5 0.1658588E-07 6 0.5986101E-08 7 0.6911880E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1211696E-10 1 0.8446699E-10 2 0.1213667E-09 3 0.1524671E-09 4 0.8898293E-10 5 0.2669924E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2285868E-16 1 0.5787644E-09 2 0.1931265E-09 3 0.2892944E-09 4 0.3114672E-09 5 0.3148228E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1241440E-17 1 0.1359367E-08 2 0.4386729E-08 3 0.1789249E-08 4 0.1999212E-09 5 0.1471071E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4831011E-07 1 0.2555338E-07 2 0.3883854E-07 3 0.2040757E-08 4 0.9936009E-09 5 0.7250937E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.7507693E-17 1 0.6250971E-08 2 0.1215338E-07 3 0.4347821E-08 4 0.2688621E-08 5 0.5968929E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.7942124E-16 1 0.1540191E-05 2 0.2211795E-06 3 0.1952430E-07 4 0.6168083E-08 5 0.4740312E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.8254192E-09 1 0.3638585E-06 2 0.9549828E-06 3 0.9602612E-07 4 0.1014469E-07 5 0.1291108E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1351406E-14 1 0.2542750E-05 2 0.7073884E-06 3 0.7140150E-07 4 0.9014631E-08 5 0.7937766E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1852781E-15 1 0.7880373E-04 2 0.5304191E-05 3 0.4055759E-07 4 0.8219172E-07 5 0.4224176E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.6271439E-03 1 0.4468440E-03 2 0.1368272E-04 3 0.1122009E-06 4 0.4709919E-07 5 0.9042301E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2495436E-15 1 0.7880374E-04 2 0.5304194E-05 3 0.4055696E-07 4 0.8219179E-07 5 0.4224190E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1490150E-14 1 0.2542753E-05 2 0.7073878E-06 3 0.7140151E-07 4 0.9014625E-08 5 0.7937743E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.8259666E-09 1 0.3638578E-06 2 0.9549834E-06 3 0.9602597E-07 4 0.1014468E-07 5 0.1291107E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1389693E-15 1 0.1540192E-05 2 0.2211797E-06 3 0.1952428E-07 4 0.6168060E-08 5 0.4740297E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1591512E-16 1 0.6250955E-08 2 0.1215351E-07 3 0.4347844E-08 4 0.2688625E-08 5 0.5968891E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.4831014E-07 1 0.2555339E-07 2 0.3883849E-07 3 0.2040755E-08 4 0.9936004E-09 5 0.7250986E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.4349126E-17 1 0.1359370E-08 2 0.4386745E-08 3 0.1789259E-08 4 0.1999214E-09 5 0.1471078E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3869919E-16 1 0.5787724E-09 2 0.1931391E-09 3 0.2892965E-09 4 0.3114674E-09 5 0.3148253E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1212824E-10 1 0.8449346E-10 2 0.1213627E-09 3 0.1524635E-09 4 0.8898319E-10 5 0.2669941E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.4580791E-15 1 0.2163381E-03 2 0.1818688E-03 3 0.2191189E-04 4 0.1007346E-05 5 0.6413552E-08 6 0.2077924E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2392488E-04 1 0.2893989E-04 2 0.3830015E-04 3 0.6644042E-05 4 0.2747165E-06 5 0.1716705E-07 6 0.1131432E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3150416E-15 1 0.2163381E-03 2 0.1818688E-03 3 0.2191188E-04 4 0.1007346E-05 5 0.6413545E-08 6 0.2077920E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1139992E-08 1 0.1063012E-06 2 0.5700395E-06 3 0.1952752E-06 4 0.1084781E-07 5 0.7848075E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1253514E-14 1 0.5496897E-05 2 0.7764323E-05 3 0.7156289E-06 4 0.1632065E-07 5 0.4246885E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.3448379E-17 1 0.2529586E-04 2 0.6233663E-05 3 0.1233717E-05 4 0.5350259E-07 5 0.1170976E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.4298698E-04 1 0.2703771E-04 2 0.1042494E-04 3 0.1093966E-05 4 0.2202019E-07 5 0.3941805E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2898935E-17 1 0.2529586E-04 2 0.6233664E-05 3 0.1233716E-05 4 0.5350256E-07 5 0.1170977E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1374351E-14 1 0.5496895E-05 2 0.7764321E-05 3 0.7156288E-06 4 0.1632072E-07 5 0.4246863E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1139868E-08 1 0.1063041E-06 2 0.5700412E-06 3 0.1952756E-06 4 0.1084781E-07 5 0.7848075E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.8569489E-17 1 0.2481482E-09 2 0.3882965E-09 3 0.1397474E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.1985465E-17 1 0.7133217E-09 2 0.7497007E-09 3 0.7844977E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.5504781E-10 1 0.4183881E-09 2 0.1106054E-08 3 0.4916220E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.2888089E-17 1 0.3065739E-07 2 0.5622045E-08 3 0.3940077E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.5722866E-17 1 0.1761356E-07 2 0.2131067E-07 3 0.3647185E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.3814647E-06 1 0.3661297E-06 2 0.5637737E-07 3 0.1173821E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.1291436E-17 1 0.1761351E-07 2 0.2131067E-07 3 0.3647190E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.2765262E-16 1 0.3065733E-07 2 0.5622031E-08 3 0.3940084E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.5504098E-10 1 0.4184087E-09 2 0.1106049E-08 3 0.4916217E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.3843145E-17 1 0.7133199E-09 2 0.7497050E-09 3 0.7844929E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.9630944E-17 1 0.2481472E-09 2 0.3882988E-09 3 0.1397470E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9967962 average vibrational energy (ev) = 0.000572 average rotational energy (ev) = 0.350009 average diffraction energy (ev) = 0.005370 the reaction probability = 0.3203798D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40614530D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9985488E+00 0.8193484E-02 0.3374974E+00 1 0.3168800E-02 0.1739313E-01 0.5588451E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1118275E-02 0 26 1 0 0.1716421E-01 0 31 1 1 0.1118275E-02 0 13 3 -3 0.4812014E-03 0 17 3 -2 0.2485806E-02 0 22 3 -1 0.6405114E-02 0 27 3 0 0.2628648E-01 0 32 3 1 0.6405114E-02 0 36 3 2 0.2485807E-02 0 40 3 3 0.4812012E-03 0 7 5 -5 0.7700300E-03 0 10 5 -4 0.3128549E-02 0 14 5 -3 0.8850202E-02 0 18 5 -2 0.1923211E-01 0 23 5 -1 0.1254319E-01 0 28 5 0 0.9282289E-01 0 33 5 1 0.1254319E-01 0 37 5 2 0.1923211E-01 0 41 5 3 0.8850202E-02 0 44 5 4 0.3128549E-02 0 47 5 5 0.7700299E-03 0 3 7 -7 0.4562366E-05 0 5 7 -6 0.6450411E-04 0 8 7 -5 0.6666333E-03 0 11 7 -4 0.3589678E-02 0 15 7 -3 0.1277641E-01 0 19 7 -2 0.5046801E-01 0 24 7 -1 0.1316263E-01 0 29 7 0 0.5850687E+00 0 34 7 1 0.1316263E-01 0 38 7 2 0.5046801E-01 0 42 7 3 0.1277641E-01 0 45 7 4 0.3589679E-02 0 48 7 5 0.6666332E-03 0 50 7 6 0.6450407E-04 0 52 7 7 0.4562329E-05 0 1 9 -9 0.3622452E-08 0 2 9 -8 0.7920747E-08 0 4 9 -7 0.2916026E-07 0 6 9 -6 0.1439967E-06 0 9 9 -5 0.1754402E-06 0 12 9 -4 0.1351649E-05 0 16 9 -3 0.1377828E-04 0 20 9 -2 0.1946421E-04 0 25 9 -1 0.4301189E-03 0 30 9 0 0.4782542E-02 0 35 9 1 0.4301189E-03 0 39 9 2 0.1946423E-04 0 43 9 3 0.1377829E-04 0 46 9 4 0.1351647E-05 0 49 9 5 0.1754459E-06 0 51 9 6 0.1439952E-06 0 53 9 7 0.2915995E-07 0 54 9 8 0.7920573E-08 0 55 9 9 0.3622574E-08 1 21 1 -1 0.2646325E-03 1 26 1 0 0.8485100E-03 1 31 1 1 0.2646323E-03 1 13 3 -3 0.7434471E-04 1 17 3 -2 0.2190871E-03 1 22 3 -1 0.4021905E-03 1 27 3 0 0.3775828E-03 1 32 3 1 0.4021905E-03 1 36 3 2 0.2190871E-03 1 40 3 3 0.7434466E-04 1 7 5 -5 0.6740811E-08 1 10 5 -4 0.6782330E-08 1 14 5 -3 0.1656536E-07 1 18 5 -2 0.8640498E-06 1 23 5 -1 0.1985480E-05 1 28 5 0 0.1643865E-04 1 33 5 1 0.1985481E-05 1 37 5 2 0.8640502E-06 1 41 5 3 0.1656480E-07 1 44 5 4 0.6782492E-08 1 47 5 5 0.6740846E-08 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.3628199E-13 1 0.4521624E-03 2 0.2518767E-03 3 0.3850363E-03 4 0.2303607E-04 5 0.4035758E-05 6 0.1373198E-05 7 0.6344383E-06 8 0.1143681E-06 9 0.5272420E-08 v, j, mj = 0 1 0 0 0.1363701E-02 1 0.4113256E-02 2 0.9289966E-02 3 0.2180837E-02 4 0.2087192E-03 5 0.5670385E-05 6 0.1845158E-05 7 0.2039517E-06 8 0.6265031E-08 9 0.4227176E-08 v, j, mj = 0 1 1 0 0.4345625E-13 1 0.4521623E-03 2 0.2518769E-03 3 0.3850363E-03 4 0.2303612E-04 5 0.4035729E-05 6 0.1373221E-05 7 0.6344446E-06 8 0.1143674E-06 9 0.5272361E-08 v, j, mj = 0 3 -3 0 0.4227906E-07 1 0.6030264E-04 2 0.3491085E-03 3 0.4999913E-04 4 0.1295538E-04 5 0.4596750E-05 6 0.3426107E-05 7 0.7317803E-06 8 0.3732748E-07 9 0.1547105E-08 v, j, mj = 0 3 -2 0 0.5422266E-12 1 0.1216055E-02 2 0.1140242E-02 3 0.9800350E-04 4 0.1555625E-04 5 0.1446084E-04 6 0.1358812E-05 7 0.1245386E-06 8 0.3669744E-08 9 0.1516544E-08 v, j, mj = 0 3 -1 0 0.4348998E-13 1 0.4065255E-02 2 0.1309669E-02 3 0.9140140E-03 4 0.1101264E-03 5 0.5414789E-05 6 0.5480843E-06 7 0.6815747E-07 8 0.1899471E-07 9 0.8208028E-09 v, j, mj = 0 3 0 0 0.4467804E-03 1 0.1213573E-01 2 0.1047958E-01 3 0.3134888E-02 4 0.7697497E-04 5 0.1130880E-04 6 0.1040498E-05 7 0.1602188E-06 8 0.1235763E-07 9 0.1902730E-08 v, j, mj = 0 3 1 0 0.2114404E-12 1 0.4065255E-02 2 0.1309669E-02 3 0.9140138E-03 4 0.1101261E-03 5 0.5414822E-05 6 0.5481147E-06 7 0.6816055E-07 8 0.1899489E-07 9 0.8207940E-09 v, j, mj = 0 3 2 0 0.5906981E-12 1 0.1216055E-02 2 0.1140243E-02 3 0.9800369E-04 4 0.1555624E-04 5 0.1446078E-04 6 0.1358777E-05 7 0.1245365E-06 8 0.3669509E-08 9 0.1516564E-08 v, j, mj = 0 3 3 0 0.4226330E-07 1 0.6030258E-04 2 0.3491083E-03 3 0.4999917E-04 4 0.1295541E-04 5 0.4596736E-05 6 0.3426098E-05 7 0.7317796E-06 8 0.3732749E-07 9 0.1547093E-08 v, j, mj = 0 5 -5 0 0.8396309E-13 1 0.3562370E-05 2 0.1292305E-03 3 0.4019128E-03 4 0.1897142E-03 5 0.4020869E-04 6 0.5170323E-05 7 0.2257828E-06 8 0.4756732E-08 9 0.6745270E-09 v, j, mj = 0 5 -4 0 0.3357777E-11 1 0.9227786E-05 2 0.1547792E-02 3 0.1361986E-02 4 0.1970989E-03 5 0.1174726E-04 6 0.6695689E-06 7 0.2503234E-07 8 0.1980707E-08 9 0.6739820E-09 v, j, mj = 0 5 -3 0 0.1244406E-05 1 0.1295418E-02 2 0.6006115E-02 3 0.1467477E-02 4 0.7617451E-04 5 0.3343744E-05 6 0.3982064E-06 7 0.2710933E-07 8 0.3371953E-08 9 0.7402935E-09 v, j, mj = 0 5 -2 0 0.1768651E-10 1 0.1034271E-01 2 0.7340763E-02 3 0.1368798E-02 4 0.1764275E-03 5 0.3166736E-05 6 0.2351045E-06 7 0.6464947E-08 8 0.2320127E-08 9 0.1010465E-08 v, j, mj = 0 5 -1 0 0.3937302E-14 1 0.4426731E-02 2 0.3088564E-02 3 0.4840501E-02 4 0.1859706E-03 5 0.1207202E-05 6 0.2001759E-06 7 0.1013846E-07 8 0.3275453E-08 9 0.8561830E-09 v, j, mj = 0 5 0 0 0.4052252E-01 1 0.2876392E-01 2 0.1716006E-01 3 0.6170935E-02 4 0.2034401E-03 5 0.1737844E-05 6 0.2378710E-06 7 0.2101658E-07 8 0.9326847E-08 9 0.5848709E-09 v, j, mj = 0 5 1 0 0.4289675E-12 1 0.4426733E-02 2 0.3088561E-02 3 0.4840501E-02 4 0.1859701E-03 5 0.1207231E-05 6 0.2001776E-06 7 0.1013960E-07 8 0.3275447E-08 9 0.8561887E-09 v, j, mj = 0 5 2 0 0.1754409E-10 1 0.1034271E-01 2 0.7340763E-02 3 0.1368797E-02 4 0.1764274E-03 5 0.3166703E-05 6 0.2351198E-06 7 0.6465434E-08 8 0.2320194E-08 9 0.1010460E-08 v, j, mj = 0 5 3 0 0.1244533E-05 1 0.1295418E-02 2 0.6006115E-02 3 0.1467477E-02 4 0.7617454E-04 5 0.3343741E-05 6 0.3981984E-06 7 0.2710933E-07 8 0.3372062E-08 9 0.7402834E-09 v, j, mj = 0 5 4 0 0.3433099E-11 1 0.9227291E-05 2 0.1547792E-02 3 0.1361986E-02 4 0.1970990E-03 5 0.1174730E-04 6 0.6695677E-06 7 0.2503262E-07 8 0.1980702E-08 9 0.6739844E-09 v, j, mj = 0 5 5 0 0.1663732E-12 1 0.3562191E-05 2 0.1292305E-03 3 0.4019128E-03 4 0.1897142E-03 5 0.4020869E-04 6 0.5170320E-05 7 0.2257830E-06 8 0.4756750E-08 9 0.6745336E-09 v, j, mj = 0 7 -7 0 0.1492795E-13 1 0.9374946E-07 2 0.2550368E-06 3 0.1953959E-05 4 0.1920428E-05 5 0.3073151E-06 6 0.1733444E-07 7 0.7216772E-08 8 0.7325620E-08 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2571115E-07 1 0.3222695E-06 2 0.4513549E-05 3 0.3734849E-04 4 0.2034892E-04 5 0.1890545E-05 6 0.4683434E-07 7 0.7069198E-08 8 0.7249389E-09 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1009557E-12 1 0.6660475E-06 2 0.2166154E-03 3 0.3633874E-03 4 0.8228193E-04 5 0.3635037E-05 6 0.3476682E-07 7 0.1243003E-07 8 0.2455668E-09 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.3937847E-11 1 0.1225572E-03 2 0.2150825E-02 3 0.1252909E-02 4 0.6248932E-04 5 0.8481692E-06 6 0.4804543E-07 7 0.1090577E-08 8 0.6056080E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2204729E-05 1 0.2911982E-02 2 0.9615697E-02 3 0.2239993E-03 4 0.2109564E-04 5 0.1386982E-05 6 0.3507846E-07 7 0.6452752E-08 8 0.7086479E-08 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3113435E-10 1 0.4801599E-01 2 0.1580837E-02 3 0.8102802E-03 4 0.6056732E-04 5 0.2788616E-06 6 0.4421866E-07 7 0.8960618E-08 8 0.9719478E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.9745245E-13 1 0.1148245E-01 2 0.1443251E-02 3 0.1958452E-03 4 0.4043994E-04 5 0.6308162E-06 6 0.1073750E-07 7 0.2953631E-08 8 0.5201128E-09 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.5448979E+00 1 0.2572910E-01 2 0.1281950E-01 3 0.1608175E-02 4 0.1262556E-04 5 0.1407888E-05 6 0.3752399E-07 7 0.1321116E-08 8 0.6570104E-09 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1003226E-12 1 0.1148244E-01 2 0.1443253E-02 3 0.1958450E-03 4 0.4043998E-04 5 0.6308133E-06 6 0.1073713E-07 7 0.2953658E-08 8 0.5201145E-09 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3077127E-10 1 0.4801599E-01 2 0.1580837E-02 3 0.8102806E-03 4 0.6056733E-04 5 0.2788676E-06 6 0.4421715E-07 7 0.8960602E-08 8 0.9719520E-09 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2202949E-05 1 0.2911981E-02 2 0.9615698E-02 3 0.2239998E-03 4 0.2109561E-04 5 0.1386992E-05 6 0.3507736E-07 7 0.6452795E-08 8 0.7086479E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.4015020E-11 1 0.1225569E-03 2 0.2150825E-02 3 0.1252909E-02 4 0.6248950E-04 5 0.8481734E-06 6 0.4804560E-07 7 0.1090589E-08 8 0.6056079E-09 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8416039E-13 1 0.6658741E-06 2 0.2166156E-03 3 0.3633873E-03 4 0.8228193E-04 5 0.3635038E-05 6 0.3476708E-07 7 0.1243003E-07 8 0.2455660E-09 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2570981E-07 1 0.3222689E-06 2 0.4513539E-05 3 0.3734849E-04 4 0.2034889E-04 5 0.1890540E-05 6 0.4683423E-07 7 0.7069259E-08 8 0.7249408E-09 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1413210E-13 1 0.9373779E-07 2 0.2550350E-06 3 0.1953955E-05 4 0.1920413E-05 5 0.3073113E-06 6 0.1733446E-07 7 0.7216778E-08 8 0.7325617E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.8089563E-10 1 0.5183794E-09 2 0.8353214E-09 3 0.5276520E-09 4 0.1437252E-08 5 0.2229517E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2433731E-15 1 0.2322271E-08 2 0.1613167E-08 3 0.2691616E-08 4 0.8386758E-09 5 0.4550170E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.6576647E-16 1 0.1580689E-07 2 0.6974805E-08 3 0.5565277E-08 4 0.5683208E-09 5 0.2449732E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.7004898E-07 1 0.1189051E-07 2 0.4680797E-07 3 0.1129539E-07 4 0.2815072E-08 5 0.1138777E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.6751887E-15 1 0.4512668E-07 2 0.6482721E-07 3 0.5469410E-07 4 0.8166989E-08 5 0.2625207E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.3406638E-14 1 0.3933119E-06 2 0.6511588E-06 3 0.2906725E-06 4 0.1452670E-07 5 0.1979000E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.4811356E-08 1 0.4108789E-05 2 0.9046624E-05 3 0.5739518E-06 4 0.3495392E-07 5 0.9150725E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3888478E-13 1 0.1359499E-04 2 0.5097062E-05 3 0.7241808E-06 4 0.4504972E-07 5 0.2928073E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2248404E-14 1 0.4176970E-03 2 0.1181335E-04 3 0.5303783E-06 4 0.1676768E-07 5 0.6135474E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3030268E-02 1 0.1732457E-02 2 0.1949734E-04 3 0.1055248E-06 4 0.1977467E-06 5 0.1744415E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2209991E-14 1 0.4176970E-03 2 0.1181336E-04 3 0.5303783E-06 4 0.1676799E-07 5 0.6135471E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.3509411E-13 1 0.1359501E-04 2 0.5097057E-05 3 0.7241803E-06 4 0.4504986E-07 5 0.2928117E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.4813468E-08 1 0.4108790E-05 2 0.9046630E-05 3 0.5739521E-06 4 0.3495400E-07 5 0.9150717E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.4569323E-14 1 0.3933098E-06 2 0.6511591E-06 3 0.2906729E-06 4 0.1452659E-07 5 0.1979007E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.5388762E-15 1 0.4512903E-07 2 0.6483024E-07 3 0.5469440E-07 4 0.8167005E-08 5 0.2625217E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.7004878E-07 1 0.1189118E-07 2 0.4680645E-07 3 0.1129500E-07 4 0.2815071E-08 5 0.1138769E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.6492245E-16 1 0.1580670E-07 2 0.6974527E-08 3 0.5565429E-08 4 0.5683188E-09 5 0.2449740E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.6954485E-15 1 0.2321611E-08 2 0.1613595E-08 3 0.2691669E-08 4 0.8386776E-09 5 0.4550193E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.8066293E-10 1 0.5181546E-09 2 0.8359245E-09 3 0.5276223E-09 4 0.1437255E-08 5 0.2229546E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1123857E-14 1 0.1515385E-03 2 0.1022048E-03 3 0.1017348E-04 4 0.6589819E-06 5 0.5546251E-07 6 0.1353492E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.8110761E-04 1 0.4637091E-03 2 0.2850157E-03 3 0.1822535E-04 4 0.4260872E-06 5 0.2315603E-07 6 0.2958766E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1014810E-13 1 0.1515384E-03 2 0.1022047E-03 3 0.1017340E-04 4 0.6589777E-06 5 0.5546210E-07 6 0.1353483E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1502820E-08 1 0.5794079E-05 2 0.4787213E-04 3 0.1987573E-04 4 0.7958143E-06 5 0.5237590E-08 6 0.2166751E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1999992E-13 1 0.7387973E-04 2 0.1295533E-03 3 0.1547190E-04 4 0.1799197E-06 5 0.2063417E-08 6 0.1953998E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2736921E-15 1 0.3095561E-03 2 0.8833809E-04 3 0.4027738E-05 4 0.2627376E-06 5 0.5766994E-08 6 0.1217333E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.8153335E-04 1 0.1158734E-03 2 0.1644384E-03 3 0.1547562E-04 4 0.2061146E-06 5 0.5537810E-07 6 0.4407427E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.3357041E-15 1 0.3095561E-03 2 0.8833804E-04 3 0.4027727E-05 4 0.2627397E-06 5 0.5766996E-08 6 0.1217332E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2102746E-13 1 0.7387973E-04 2 0.1295533E-03 3 0.1547192E-04 4 0.1799200E-06 5 0.2063419E-08 6 0.1953999E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1504179E-08 1 0.5794077E-05 2 0.4787210E-04 3 0.1987572E-04 4 0.7958128E-06 5 0.5237585E-08 6 0.2166762E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.4474798E-16 1 0.2087025E-09 2 0.1647569E-08 3 0.4588490E-08 4 0.2960493E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.4117857E-16 1 0.6522378E-09 2 0.3753667E-08 3 0.2169560E-08 4 0.2068647E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.5155488E-09 1 0.3216155E-08 2 0.1021489E-07 3 0.8112880E-09 4 0.1807484E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.3522994E-16 1 0.4156592E-06 2 0.4170662E-06 3 0.3072550E-07 4 0.5988973E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.1641070E-16 1 0.1426466E-05 2 0.5307392E-06 3 0.2791132E-07 4 0.3634320E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.8661126E-05 1 0.7264488E-05 2 0.3734264E-06 3 0.1384782E-06 4 0.1130665E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.2125790E-17 1 0.1426466E-05 2 0.5307399E-06 3 0.2791122E-07 4 0.3634397E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1487962E-15 1 0.4156593E-06 2 0.4170664E-06 3 0.3072570E-07 4 0.5989041E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.5152112E-09 1 0.3216160E-08 2 0.1021471E-07 3 0.8112316E-09 4 0.1807485E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.6544275E-17 1 0.6523519E-09 2 0.3753702E-08 3 0.2169572E-08 4 0.2068667E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.4053590E-17 1 0.2087041E-09 2 0.1647574E-08 3 0.4588523E-08 4 0.2960452E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0017176 average vibrational energy (ev) = 0.001612 average rotational energy (ev) = 0.336607 average diffraction energy (ev) = 0.008223 the reaction probability = -0.1717596D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40043101D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9942283E+00 0.1329043E-01 0.3291147E+00 1 0.8816324E-02 0.2763264E-01 0.7434354E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1587760E-02 0 26 1 0 0.2067795E-01 0 31 1 1 0.1587760E-02 0 13 3 -3 0.1330396E-02 0 17 3 -2 0.4884304E-02 0 22 3 -1 0.7159255E-02 0 27 3 0 0.2643490E-01 0 32 3 1 0.7159256E-02 0 36 3 2 0.4884304E-02 0 40 3 3 0.1330397E-02 0 7 5 -5 0.1308645E-02 0 10 5 -4 0.5527923E-02 0 14 5 -3 0.1296996E-01 0 18 5 -2 0.2398323E-01 0 23 5 -1 0.1639233E-01 0 28 5 0 0.9722114E-01 0 33 5 1 0.1639233E-01 0 37 5 2 0.2398323E-01 0 41 5 3 0.1296996E-01 0 44 5 4 0.5527923E-02 0 47 5 5 0.1308645E-02 0 3 7 -7 0.6728012E-04 0 5 7 -6 0.4470738E-03 0 8 7 -5 0.2645374E-02 0 11 7 -4 0.9708779E-02 0 15 7 -3 0.2424873E-01 0 19 7 -2 0.6321752E-01 0 24 7 -1 0.1724534E-01 0 29 7 0 0.4481520E+00 0 34 7 1 0.1724534E-01 0 38 7 2 0.6321753E-01 0 42 7 3 0.2424872E-01 0 45 7 4 0.9708779E-02 0 48 7 5 0.2645374E-02 0 50 7 6 0.4470737E-03 0 52 7 7 0.6728005E-04 0 1 9 -9 0.1015377E-07 0 2 9 -8 0.2677483E-07 0 4 9 -7 0.7191221E-07 0 6 9 -6 0.1323730E-06 0 9 9 -5 0.7482577E-06 0 12 9 -4 0.8405503E-05 0 16 9 -3 0.8766415E-04 0 20 9 -2 0.9940126E-04 0 25 9 -1 0.1533109E-02 0 30 9 0 0.1283531E-01 0 35 9 1 0.1533109E-02 0 39 9 2 0.9940132E-04 0 43 9 3 0.8766419E-04 0 46 9 4 0.8405490E-05 0 49 9 5 0.7482796E-06 0 51 9 6 0.1323674E-06 0 53 9 7 0.7190099E-07 0 54 9 8 0.2676744E-07 0 55 9 9 0.1015445E-07 1 21 1 -1 0.6025635E-04 1 26 1 0 0.1668901E-02 1 31 1 1 0.6025625E-04 1 13 3 -3 0.1734125E-02 1 17 3 -2 0.3110023E-03 1 22 3 -1 0.9151410E-03 1 27 3 0 0.9165399E-03 1 32 3 1 0.9151410E-03 1 36 3 2 0.3110021E-03 1 40 3 3 0.1734124E-02 1 7 5 -5 0.2850979E-07 1 10 5 -4 0.6329574E-07 1 14 5 -3 0.7840807E-05 1 18 5 -2 0.1298117E-04 1 23 5 -1 0.2817300E-04 1 28 5 0 0.9165966E-04 1 33 5 1 0.2817301E-04 1 37 5 2 0.1298117E-04 1 41 5 3 0.7840809E-05 1 44 5 4 0.6329802E-07 1 47 5 5 0.2850703E-07 1 3 7 -7 0.9215855E-18 1 5 7 -6 0.1283089E-10 1 8 7 -5 0.8285141E-18 1 11 7 -4 0.1590736E-17 1 15 7 -3 0.1076228E-10 1 19 7 -2 0.1842956E-18 1 24 7 -1 0.3787299E-18 1 29 7 0 0.1329241E-08 1 34 7 1 0.4418402E-19 1 38 7 2 0.1763031E-17 1 42 7 3 0.1076214E-10 1 45 7 4 0.1496338E-17 1 48 7 5 0.6858633E-18 1 50 7 6 0.1283094E-10 1 52 7 7 0.9692981E-18 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.6202483E-12 1 0.8030776E-03 2 0.1463911E-03 3 0.4568025E-03 4 0.1649894E-03 5 0.9125196E-05 6 0.5091424E-05 7 0.1858493E-05 8 0.4042104E-06 9 0.2032474E-07 v, j, mj = 0 1 0 0 0.5272773E-02 1 0.2234966E-02 2 0.8507864E-02 3 0.3676766E-02 4 0.9126824E-03 5 0.6595898E-04 6 0.6126678E-05 7 0.7711475E-06 8 0.3878471E-07 9 0.3785274E-08 v, j, mj = 0 1 1 0 0.1098439E-11 1 0.8030777E-03 2 0.1463913E-03 3 0.4568024E-03 4 0.1649891E-03 5 0.9125119E-05 6 0.5091405E-05 7 0.1858511E-05 8 0.4042090E-06 9 0.2032482E-07 v, j, mj = 0 3 -3 0 0.4386550E-06 1 0.1918135E-03 2 0.9383516E-03 3 0.1291697E-03 4 0.3587632E-04 5 0.1902629E-04 6 0.1127650E-04 7 0.4003102E-05 8 0.4301043E-06 9 0.1070355E-07 v, j, mj = 0 3 -2 0 0.1475581E-11 1 0.1936620E-02 2 0.2688463E-02 3 0.1743175E-03 4 0.6095286E-04 5 0.2020956E-04 6 0.3204535E-05 7 0.5157345E-06 8 0.1921250E-07 9 0.1612005E-08 v, j, mj = 0 3 -1 0 0.6398516E-12 1 0.4933167E-02 2 0.6659199E-03 3 0.1082873E-02 4 0.4326798E-03 5 0.3942172E-04 6 0.4760097E-05 7 0.3846977E-06 8 0.4655937E-07 9 0.2427869E-08 v, j, mj = 0 3 0 0 0.1264397E-02 1 0.7653026E-02 2 0.1238446E-01 3 0.4410184E-02 4 0.7091702E-03 5 0.8710918E-05 6 0.4638665E-05 7 0.2762487E-06 8 0.3243002E-07 9 0.5627233E-08 v, j, mj = 0 3 1 0 0.1046486E-11 1 0.4933168E-02 2 0.6659207E-03 3 0.1082872E-02 4 0.4326796E-03 5 0.3942166E-04 6 0.4760158E-05 7 0.3847071E-06 8 0.4656119E-07 9 0.2427950E-08 v, j, mj = 0 3 2 0 0.1557633E-11 1 0.1936620E-02 2 0.2688464E-02 3 0.1743177E-03 4 0.6095286E-04 5 0.2020942E-04 6 0.3204501E-05 7 0.5157220E-06 8 0.1921058E-07 9 0.1612168E-08 v, j, mj = 0 3 3 0 0.4382322E-06 1 0.1918134E-03 2 0.9383521E-03 3 0.1291701E-03 4 0.3587632E-04 5 0.1902617E-04 6 0.1127649E-04 7 0.4003114E-05 8 0.4301029E-06 9 0.1070352E-07 v, j, mj = 0 5 -5 0 0.3660569E-12 1 0.8563805E-05 2 0.3069087E-03 3 0.7184506E-03 4 0.2028674E-03 5 0.5678487E-04 6 0.1354358E-04 7 0.1490275E-05 8 0.3474789E-07 9 0.1050945E-08 v, j, mj = 0 5 -4 0 0.9801194E-11 1 0.2204698E-04 2 0.3543111E-02 3 0.1801913E-02 4 0.1392238E-03 5 0.1932031E-04 6 0.2191230E-05 7 0.1139754E-06 8 0.1932011E-08 9 0.9931184E-09 v, j, mj = 0 5 -3 0 0.2683909E-05 1 0.2432577E-02 2 0.8998158E-02 3 0.1381162E-02 4 0.1433989E-03 5 0.1005006E-04 6 0.1794012E-05 7 0.1279840E-06 8 0.4322696E-08 9 0.1182882E-08 v, j, mj = 0 5 -2 0 0.5284379E-10 1 0.1194274E-01 2 0.9413379E-02 3 0.2281992E-02 4 0.3244253E-03 5 0.1987256E-04 6 0.7695579E-06 7 0.4228406E-07 8 0.3445534E-08 9 0.8182279E-09 v, j, mj = 0 5 -1 0 0.3425344E-13 1 0.1751459E-02 2 0.5627763E-02 3 0.8375162E-02 4 0.6264896E-03 5 0.1068980E-04 6 0.7083031E-06 7 0.5502575E-07 8 0.2144131E-08 9 0.6380365E-09 v, j, mj = 0 5 0 0 0.2153559E-01 1 0.3621134E-01 2 0.2778806E-01 3 0.1124246E-01 4 0.4221310E-03 5 0.2134200E-04 6 0.1735545E-06 7 0.4262154E-07 8 0.6333271E-08 9 0.7869557E-09 v, j, mj = 0 5 1 0 0.1032750E-11 1 0.1751463E-02 2 0.5627760E-02 3 0.8375161E-02 4 0.6264887E-03 5 0.1068972E-04 6 0.7083085E-06 7 0.5502824E-07 8 0.2144079E-08 9 0.6380579E-09 v, j, mj = 0 5 2 0 0.5262320E-10 1 0.1194274E-01 2 0.9413381E-02 3 0.2281990E-02 4 0.3244248E-03 5 0.1987234E-04 6 0.7695787E-06 7 0.4228633E-07 8 0.3445831E-08 9 0.8182345E-09 v, j, mj = 0 5 3 0 0.2684323E-05 1 0.2432576E-02 2 0.8998158E-02 3 0.1381161E-02 4 0.1433989E-03 5 0.1005005E-04 6 0.1794008E-05 7 0.1279868E-06 8 0.4322958E-08 9 0.1182884E-08 v, j, mj = 0 5 4 0 0.1002695E-10 1 0.2204662E-04 2 0.3543111E-02 3 0.1801913E-02 4 0.1392239E-03 5 0.1932041E-04 6 0.2191236E-05 7 0.1139774E-06 8 0.1932009E-08 9 0.9931166E-09 v, j, mj = 0 5 5 0 0.5335006E-12 1 0.8563201E-05 2 0.3069090E-03 3 0.7184507E-03 4 0.2028676E-03 5 0.5678493E-04 6 0.1354357E-04 7 0.1490273E-05 8 0.3474755E-07 9 0.1050932E-08 v, j, mj = 0 7 -7 0 0.1161505E-12 1 0.1952230E-06 2 0.1866874E-05 3 0.2382394E-04 4 0.3328055E-04 5 0.7706770E-05 6 0.3936370E-06 7 0.8630753E-08 8 0.4499447E-08 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4278558E-06 1 0.1120496E-05 2 0.3301522E-04 3 0.2646813E-03 4 0.1304389E-03 5 0.1688223E-04 6 0.4812501E-06 7 0.2322304E-07 8 0.3208923E-08 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5905016E-12 1 0.8869810E-05 2 0.9898154E-03 3 0.1407082E-02 4 0.2260963E-03 5 0.1319313E-04 6 0.2843682E-06 7 0.3087631E-07 8 0.1930830E-08 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2109063E-10 1 0.3217708E-03 2 0.6882038E-02 3 0.2472670E-02 4 0.2826317E-04 5 0.3896053E-05 6 0.1390004E-06 7 0.1286236E-08 8 0.9385574E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4926663E-05 1 0.6355007E-02 2 0.1728862E-01 3 0.4744219E-03 4 0.1230219E-03 5 0.2624815E-05 6 0.9514642E-07 7 0.4160458E-08 8 0.3616113E-08 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1221890E-09 1 0.5854056E-01 2 0.2991358E-02 3 0.1639505E-02 4 0.4444326E-04 5 0.1586854E-05 6 0.5961289E-07 7 0.6776185E-08 8 0.1061118E-08 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1957176E-12 1 0.1126668E-01 2 0.4621505E-02 3 0.1243316E-02 4 0.1134063E-03 5 0.4206273E-06 6 0.1023046E-07 7 0.2571937E-08 8 0.9727473E-09 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3488369E+00 1 0.9122898E-01 2 0.6044453E-02 3 0.1876237E-02 4 0.1642879E-03 5 0.1118668E-05 6 0.2675284E-07 7 0.6159423E-08 8 0.9805202E-09 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.9316768E-13 1 0.1126667E-01 2 0.4621509E-02 3 0.1243316E-02 4 0.1134063E-03 5 0.4206203E-06 6 0.1023024E-07 7 0.2571975E-08 8 0.9727652E-09 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1207329E-09 1 0.5854056E-01 2 0.2991359E-02 3 0.1639506E-02 4 0.4444335E-04 5 0.1586870E-05 6 0.5961164E-07 7 0.6776203E-08 8 0.1061121E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4922729E-05 1 0.6355004E-02 2 0.1728862E-01 3 0.4744233E-03 4 0.1230219E-03 5 0.2624837E-05 6 0.9514209E-07 7 0.4160506E-08 8 0.3616109E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2137285E-10 1 0.3217695E-03 2 0.6882038E-02 3 0.2472671E-02 4 0.2826369E-04 5 0.3896076E-05 6 0.1390017E-06 7 0.1286260E-08 8 0.9385533E-09 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.5631527E-12 1 0.8868961E-05 2 0.9898160E-03 3 0.1407082E-02 4 0.2260967E-03 5 0.1319315E-04 6 0.2843687E-06 7 0.3087629E-07 8 0.1930819E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.4278502E-06 1 0.1120489E-05 2 0.3301520E-04 3 0.2646814E-03 4 0.1304389E-03 5 0.1688222E-04 6 0.4812464E-06 7 0.2322317E-07 8 0.3208909E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1083262E-12 1 0.1951949E-06 2 0.1866855E-05 3 0.2382396E-04 4 0.3328051E-04 5 0.7706769E-05 6 0.3936356E-06 7 0.8630874E-08 8 0.4499444E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3651734E-09 1 0.1486302E-08 2 0.4631128E-08 3 0.1868729E-08 4 0.3710641E-09 5 0.6337511E-09 6 0.7976267E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2802629E-14 1 0.3873876E-08 2 0.1218443E-07 3 0.6208408E-08 4 0.3010575E-08 5 0.1150234E-08 6 0.3473072E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1081234E-15 1 0.2118464E-07 2 0.2985849E-07 3 0.1656324E-07 4 0.3091644E-08 5 0.8627429E-09 6 0.3514546E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1042100E-07 1 0.3095292E-07 2 0.4704239E-07 3 0.3089025E-07 4 0.1121540E-07 5 0.1368975E-08 6 0.4820991E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1054993E-13 1 0.1779491E-06 2 0.1572427E-06 3 0.3591410E-06 4 0.4722060E-07 5 0.5875564E-08 6 0.8287208E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.9356946E-13 1 0.2109547E-05 2 0.3951136E-05 3 0.2292445E-05 4 0.4508088E-07 5 0.5491454E-08 6 0.1803097E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3347942E-07 1 0.2507300E-04 2 0.5914743E-04 3 0.3295037E-05 4 0.9156570E-07 5 0.1954190E-07 6 0.4098320E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.4326194E-12 1 0.7371639E-04 2 0.2408755E-04 3 0.1472404E-05 4 0.1104105E-06 5 0.1263697E-07 6 0.1867743E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.9600346E-14 1 0.1513301E-02 2 0.1516509E-04 3 0.4511683E-05 4 0.3899513E-07 5 0.8211601E-07 6 0.9970425E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.8927977E-02 1 0.3821644E-02 2 0.8105056E-04 3 0.4483161E-05 4 0.1050861E-06 5 0.4926847E-07 6 0.2124002E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.8527497E-14 1 0.1513301E-02 2 0.1516508E-04 3 0.4511691E-05 4 0.3899639E-07 5 0.8211633E-07 6 0.9970437E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.4263913E-12 1 0.7371649E-04 2 0.2408751E-04 3 0.1472402E-05 4 0.1104118E-06 5 0.1263703E-07 6 0.1867763E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.3350226E-07 1 0.2507301E-04 2 0.5914743E-04 3 0.3295047E-05 4 0.9156554E-07 5 0.1954187E-07 6 0.4098296E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1088328E-12 1 0.2109525E-05 2 0.3951139E-05 3 0.2292450E-05 4 0.4508138E-07 5 0.5491379E-08 6 0.1803099E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1015528E-13 1 0.1779555E-06 2 0.1572566E-06 3 0.3591425E-06 4 0.4722062E-07 5 0.5875638E-08 6 0.8287162E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1042060E-07 1 0.3095612E-07 2 0.4703497E-07 3 0.3088887E-07 4 0.1121577E-07 5 0.1369001E-08 6 0.4820949E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1354624E-14 1 0.2117968E-07 2 0.2985172E-07 3 0.1656370E-07 4 0.3091741E-08 5 0.8626937E-09 6 0.3514522E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.2287493E-14 1 0.3867460E-08 2 0.1218321E-07 3 0.6208706E-08 4 0.3010526E-08 5 0.1150230E-08 6 0.3473062E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3646842E-09 1 0.1486209E-08 2 0.4630687E-08 3 0.1870371E-08 4 0.3711264E-09 5 0.6337467E-09 6 0.7976302E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1707207E-13 1 0.4336586E-04 2 0.1395276E-05 3 0.5514820E-05 4 0.8605622E-05 5 0.1354508E-05 6 0.1904188E-07 7 0.1222496E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3181908E-03 1 0.9029423E-03 2 0.4101150E-03 3 0.3657886E-04 4 0.1029058E-05 5 0.3637752E-07 6 0.5309408E-08 7 0.3554402E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.8388678E-13 1 0.4336583E-04 2 0.1395304E-05 3 0.5514706E-05 4 0.8605631E-05 5 0.1354511E-05 6 0.1904161E-07 7 0.1222467E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1762874E-07 1 0.6588314E-04 2 0.8354502E-03 3 0.7419338E-03 4 0.8946168E-04 5 0.1371813E-05 6 0.6641058E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.5339994E-13 1 0.1493503E-03 2 0.1420748E-03 3 0.1856545E-04 4 0.1000296E-05 5 0.9489484E-08 6 0.1954439E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1734771E-15 1 0.7978789E-03 2 0.8972828E-04 3 0.2451146E-04 4 0.2909878E-05 5 0.1094194E-06 6 0.3126370E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1791531E-04 1 0.2416483E-03 2 0.6023585E-03 3 0.5384500E-04 4 0.7256220E-06 5 0.3493523E-07 6 0.1218004E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.5147228E-14 1 0.7978787E-03 2 0.8972832E-04 3 0.2451145E-04 4 0.2909888E-05 5 0.1094218E-06 6 0.3126336E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.6329050E-13 1 0.1493503E-03 2 0.1420746E-03 3 0.1856548E-04 4 0.1000295E-05 5 0.9489206E-08 6 0.1954411E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1762644E-07 1 0.6588311E-04 2 0.8354502E-03 3 0.7419335E-03 4 0.8946158E-04 5 0.1371811E-05 6 0.6641034E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.2472541E-14 1 0.4336497E-08 2 0.7513884E-08 3 0.1033321E-07 4 0.5872611E-08 5 0.4535926E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.7610376E-15 1 0.1080290E-08 2 0.4491653E-07 3 0.1283806E-07 4 0.3949538E-08 5 0.5113216E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.3772827E-09 1 0.6966907E-06 2 0.5350083E-05 3 0.1751134E-05 4 0.4050387E-07 5 0.2018064E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.3542081E-14 1 0.5590893E-05 2 0.6936296E-05 3 0.4355747E-06 4 0.1818387E-07 5 0.2210626E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.3600728E-16 1 0.2255002E-04 2 0.5226724E-05 3 0.3782378E-06 4 0.1662596E-07 5 0.1401228E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.6209439E-04 1 0.1779709E-04 2 0.9537008E-05 3 0.2205561E-05 4 0.2479793E-07 5 0.8141197E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.3863746E-16 1 0.2255003E-04 2 0.5226722E-05 3 0.3782384E-06 4 0.1662645E-07 5 0.1401212E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.5446902E-14 1 0.5590895E-05 2 0.6936295E-05 3 0.4355747E-06 4 0.1818393E-07 5 0.2210661E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.3759831E-09 1 0.6966913E-06 2 0.5350085E-05 3 0.1751135E-05 4 0.4050379E-07 5 0.2018084E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.8392281E-15 1 0.1081432E-08 2 0.4491801E-07 3 0.1283775E-07 4 0.3949498E-08 5 0.5113309E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.4065608E-15 1 0.4335592E-08 2 0.7512238E-08 3 0.1033307E-07 4 0.5872526E-08 5 0.4536017E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.9215855E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -6 0 0.1283089E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -5 0 0.8285141E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -4 0 0.1590736E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -3 0 0.1076228E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -2 0 0.1842956E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -1 0 0.3787299E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 0 0 0.1329241E-08 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 1 0 0.4418402E-19 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 2 0 0.1763031E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 3 0 0.1076214E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 4 0 0.1496338E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 5 0 0.6858633E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 6 0 0.1283094E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 7 0 0.9692981E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0030446 average vibrational energy (ev) = 0.004478 average rotational energy (ev) = 0.326875 average diffraction energy (ev) = 0.013416 the reaction probability = -0.3044602D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 95820.5157 (a) ... Propagating the wavefunction 93876.9278 (b) Setup time 1719.3707 Saving the wave function for rerun 50.2728 Calculating averages 4.6794 Calculating and saving BK-coeffs 17.4842 Asymptotic analysis 4.4455 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 95673.1804 (a) ... FFTs along X and Y 4229.9152 Kinetic energy operation along Z 26580.6001 Kinetic energy operation along r 19958.0533 Potential energy multiplication 11217.1919 Legengre transforms 25404.6449 Shifting the wavefunction 2354.4885 Kinetic energy multiplications (xy) 411.6466 Absorbing the wavefunction 481.9118 Projection formalism 17.1665 Operations on specular grid 0.1779 ----------------------------------------------------- Sum 90655.7967 (b) ... Potential initialisation time 0.0000 Potential setup time 1695.4470 FFTs along X 2177.4593 FFTs along Y 2052.4559 Time spent on FGH for asympwf 0.4239 Ending date and time: Fri Aug 9 17:46:49 CEST 2019