Starting date and time: Sat Aug 10 09:34:26 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 20190810 at 093426.278 *** * 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: v0j7mj6-0.15eV-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: 6 * 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: 6 * 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 = 6 ... *** 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 = 0.29087067E-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 = 76 iz = 75 iz = 77 iz = 78 iz = 80 iz = 79 iz = 81 iz = 82 iz = 84 iz = 83 iz = 85 iz = 86 iz = 88 iz = 87 iz = 89 iz = 90 iz = 92 iz = 91 iz = 93 iz = 94 iz = 96 iz = 95 iz = 97 iz = 98 iz = 100 iz = 99 iz = 101 iz = 102 iz = 104 iz = 103 iz = 105 iz = 106 iz = 108 iz = 107 iz = 109 iz = 110 iz = 112 iz = 111 iz = 113 iz = 114 iz = 116 iz = 115 iz = 117 iz = 118 iz = 120 iz = 119 iz = 121 iz = 122 iz = 124 iz = 123 iz = 125 iz = 126 iz = 128 iz = 127 iz = 129 iz = 130 iz = 132 iz = 131 iz = 133 iz = 134 iz = 136 iz = 135 iz = 137 iz = 138 iz = 140 iz = 139 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 145 iz = 156 iz = 149 iz = 160 iz = 153 iz = 157 iz = 161 iz = 146 iz = 150 iz = 154 iz = 158 iz = 162 iz = 143 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 = 0.17086893E+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 = 242 ******************************************************************************** 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 = 13280 ******************************************************************************** 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 1.51910961 0.47394712E-01 0.13000000E+04 0.99999963 14.11763263 1.51910834 0.33589145E-01 0.13500000E+04 0.99999962 13.99129292 1.51910495 0.23771128E-01 0.14000000E+04 0.99999960 13.86493463 1.51910119 0.16830006E-01 0.14500000E+04 0.99999959 13.73855616 1.51910397 0.11939071E-01 0.15000000E+04 0.99999957 13.61215571 1.51911576 0.84968626E-02 0.15500000E+04 0.99999956 13.48573122 1.51912382 0.60728900E-02 0.16000000E+04 0.99999954 13.35928033 1.51912393 0.43625363E-02 0.16500000E+04 0.99999953 13.23280035 1.51912877 0.31518925E-02 0.17000000E+04 0.99999952 13.10628823 1.51913455 0.22914450E-02 0.17500000E+04 0.99999950 12.97974052 1.51914186 0.16769328E-02 0.18000000E+04 0.99999949 12.85315342 1.51915660 0.12356812E-02 0.18500000E+04 0.99999947 12.72652274 1.51918215 0.91698043E-03 0.19000000E+04 0.99999946 12.59984398 1.51920779 0.68536704E-03 0.19500000E+04 0.99999944 12.47311232 1.51922576 0.51596028E-03 0.20000000E+04 0.99999943 12.34632274 1.51924796 0.39123493E-03 0.20500000E+04 0.99999942 12.21946995 1.51927540 0.29879161E-03 0.21000000E+04 0.99999940 12.09254853 1.51930318 0.22981294E-03 0.21500000E+04 0.99999939 11.96555291 1.51933894 0.17799609E-03 0.22000000E+04 0.99999937 11.83847742 1.51938403 0.13881053E-03 0.22500000E+04 0.99999936 11.71131628 1.51943058 0.10898066E-03 0.23000000E+04 0.99999935 11.58406364 1.51946863 0.86124883E-04 0.23500000E+04 0.99999933 11.45671355 1.51950709 0.68500184E-04 0.24000000E+04 0.99999932 11.32926004 1.51955261 0.54823724E-04 0.24500000E+04 0.99999930 11.20169704 1.51959705 0.44145513E-04 0.25000000E+04 0.99999929 11.07401845 1.51964711 0.35757849E-04 0.25500000E+04 0.99999927 10.94621816 1.51970521 0.29130430E-04 0.26000000E+04 0.99999926 10.81829006 1.51976471 0.23863606E-04 0.26500000E+04 0.99999925 10.69022809 1.51981530 0.19654239E-04 0.27000000E+04 0.99999923 10.56202634 1.51986332 0.16272020E-04 0.27500000E+04 0.99999922 10.43367909 1.51991879 0.13539807E-04 0.28000000E+04 0.99999920 10.30518092 1.51997483 0.11321332E-04 0.28500000E+04 0.99999919 10.17652687 1.52003333 0.95110380E-05 0.29000000E+04 0.99999917 10.04771256 1.52010107 0.80267174E-05 0.29500000E+04 0.99999916 9.91873439 1.52016992 0.68037967E-05 0.30000000E+04 0.99999915 9.78958974 1.52023234 0.57920937E-05 0.30500000E+04 0.99999913 9.66027723 1.52029046 0.49513210E-05 0.31000000E+04 0.99999912 9.53079696 1.52035752 0.42496299E-05 0.31500000E+04 0.99999910 9.40115086 1.52043001 0.36615836E-05 0.32000000E+04 0.99999909 9.27134301 1.52050498 0.31667935E-05 0.32500000E+04 0.99999908 9.14138000 1.52059276 0.27488516E-05 0.33000000E+04 0.99999906 9.01127134 1.52068752 0.23944841E-05 0.33500000E+04 0.99999905 8.88102988 1.52078257 0.20928941E-05 0.34000000E+04 0.99999903 8.75067228 1.52088083 0.18352674E-05 0.34500000E+04 0.99999902 8.62021944 1.52099711 0.16144061E-05 0.35000000E+04 0.99999900 8.48969699 1.52113486 0.14244326E-05 0.35500000E+04 0.99999899 8.35913578 1.52129115 0.12602946E-05 0.36000000E+04 0.99999897 8.22857232 1.52147805 0.11184777E-05 0.36500000E+04 0.99999896 8.09804927 1.52169979 0.99538373E-06 0.37000000E+04 0.99999894 7.96761587 1.52195145 0.88819565E-06 0.37500000E+04 0.99999893 7.83732834 1.52224295 0.79456368E-06 0.38000000E+04 0.99999891 7.70725023 1.52259258 0.71254576E-06 0.38500000E+04 0.99999889 7.57745280 1.52301652 0.64053226E-06 0.39000000E+04 0.99999886 7.44801518 1.52351715 0.57716739E-06 0.39500000E+04 0.99999882 7.31902465 1.52411161 0.52108547E-06 0.40000000E+04 0.99999876 7.19057669 1.52481720 0.47170457E-06 0.40500000E+04 0.99999867 7.06277506 1.52563693 0.42795018E-06 0.41000000E+04 0.99999851 6.93573171 1.52658657 0.38907239E-06 0.41500000E+04 0.99999826 6.80956667 1.52769103 0.35441517E-06 0.42000000E+04 0.99999785 6.68440778 1.52897286 0.32341810E-06 0.42500000E+04 0.99999721 6.56039037 1.53044085 0.29562970E-06 0.43000000E+04 0.99999621 6.43765682 1.53210613 0.27070381E-06 0.43500000E+04 0.99999468 6.31635605 1.53398571 0.24816683E-06 0.44000000E+04 0.99999239 6.19664293 1.53607867 0.22815189E-06 0.44500000E+04 0.99998904 6.07867766 1.53838321 0.21017357E-06 0.45000000E+04 0.99998423 5.96262503 1.54090764 0.19394727E-06 0.45500000E+04 0.99997746 5.84865364 1.54365097 0.17922493E-06 0.46000000E+04 0.99996811 5.73693515 1.54659955 0.16582149E-06 0.46500000E+04 0.99995542 5.62764330 1.54973086 0.15360776E-06 0.47000000E+04 0.99993850 5.52095303 1.55302906 0.14248270E-06 0.47500000E+04 0.99991633 5.41703938 1.55646669 0.13235190E-06 0.48000000E+04 0.99988774 5.31607643 1.56000989 0.12312611E-06 0.48500000E+04 0.99985145 5.21823611 1.56363549 0.11472826E-06 0.49000000E+04 0.99980610 5.12368697 1.56731804 0.10709100E-06 0.49500000E+04 0.99975025 5.03259302 1.57102035 0.99939790E-07 0.50000000E+04 0.99968245 4.94511269 1.57469627 0.93606061E-07 0.50500000E+04 0.99960127 4.86139791 1.57829892 0.87797701E-07 0.51000000E+04 0.99950532 4.78159352 1.58177581 0.82432301E-07 0.51500000E+04 0.99939338 4.70583685 1.58506182 0.77447496E-07 0.52000000E+04 0.99926438 4.63425754 1.58809626 0.72804732E-07 0.52500000E+04 0.99911747 4.56697755 1.59082137 0.68481250E-07 0.53000000E+04 0.99895210 4.50411123 1.59317534 0.64459152E-07 0.53500000E+04 0.99876803 4.44576536 1.59510151 0.60720437E-07 0.54000000E+04 0.99856539 4.39203895 1.59655905 0.57247219E-07 0.54500000E+04 0.99834470 4.34302263 1.59752984 0.54024626E-07 0.55000000E+04 0.99810689 4.29879766 1.59801316 0.50849851E-07 0.55500000E+04 0.99785333 4.25943429 1.59803314 0.48099473E-07 0.56000000E+04 0.99758583 4.22498997 1.59763926 0.45554962E-07 0.56500000E+04 0.99730660 4.19550732 1.59689189 0.43198964E-07 0.57000000E+04 0.99701828 4.17101252 1.59585266 0.41014177E-07 0.57500000E+04 0.99672386 4.15151421 1.59457580 0.38986466E-07 0.58000000E+04 0.99642662 4.13700347 1.59309669 0.37079565E-07 0.58500000E+04 0.99613007 4.12745492 1.59142311 0.35299786E-07 0.59000000E+04 0.99583783 4.12282894 1.58953974 0.33671690E-07 0.59500000E+04 0.99555350 4.12307464 1.58742686 0.32121610E-07 0.60000000E+04 0.99528053 4.12813275 1.58507446 0.30653084E-07 0.60500000E+04 0.99502207 4.13793809 1.58249940 0.29292620E-07 0.61000000E+04 0.99478085 4.15242079 1.57976014 0.27932504E-07 0.61500000E+04 0.99455901 4.17150624 1.57695451 0.26686717E-07 0.62000000E+04 0.99435809 4.19511416 1.57419678 0.25469515E-07 0.62500000E+04 0.99417893 4.22315730 1.57158132 0.24280013E-07 0.63000000E+04 0.99402168 4.25554078 1.56915148 0.23087654E-07 0.63500000E+04 0.99388585 4.29216262 1.56688282 0.22279332E-07 0.64000000E+04 0.99377036 4.33291563 1.56469441 0.21341100E-07 0.64500000E+04 0.99367371 4.37768997 1.56249005 0.20107782E-07 0.65000000E+04 0.99359403 4.42637563 1.56020787 0.19448053E-07 0.65500000E+04 0.99352930 4.47886384 1.55785530 0.19059008E-07 0.66000000E+04 0.99347742 4.53504690 1.55551175 0.17870590E-07 0.66500000E+04 0.99343633 4.59481660 1.55329522 0.16818588E-07 0.67000000E+04 0.99340413 4.65806220 1.55130542 0.17097257E-07 0.67500000E+04 0.99337909 4.72466881 1.54957073 0.17132831E-07 0.68000000E+04 0.99335975 4.79451722 1.54803231 0.15637327E-07 0.68500000E+04 0.99334485 4.86748521 1.54657376 0.14915992E-07 0.69000000E+04 0.99333337 4.94344984 1.54508074 0.16718190E-07 0.69500000E+04 0.99332451 5.02228977 1.54349925 0.18159959E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.70000000E+04 0.99331763 5.10388667 1.54186171 0.16806691E-07 0.70500000E+04 0.99331224 5.18812519 1.54026660 0.16807955E-07 0.71000000E+04 0.99330798 5.27489193 1.53882228 0.22760515E-07 0.71500000E+04 0.99330455 5.36407398 1.53758751 0.30618923E-07 0.72000000E+04 0.99330175 5.45555799 1.53654170 0.34279873E-07 0.72500000E+04 0.99329940 5.54923031 1.53559977 0.39303530E-07 0.73000000E+04 0.99329738 5.64497809 1.53466221 0.58285023E-07 0.73500000E+04 0.99329556 5.74269082 1.53367015 0.90912661E-07 0.74000000E+04 0.99329385 5.84226154 1.53263323 0.12412910E-06 0.74500000E+04 0.99329213 5.94358728 1.53161631 0.15835029E-06 0.75000000E+04 0.99329030 6.04656857 1.53069624 0.21660331E-06 0.75500000E+04 0.99328822 6.15110845 1.52991641 0.31591796E-06 0.76000000E+04 0.99328574 6.25711169 1.52926421 0.44507311E-06 0.76500000E+04 0.99328266 6.36448445 1.52868328 0.58838307E-06 0.77000000E+04 0.99327874 6.47313464 1.52811040 0.76598120E-06 0.77500000E+04 0.99327366 6.58297262 1.52751235 0.10343618E-05 0.78000000E+04 0.99326705 6.69391184 1.52690015 0.14439013E-05 0.78500000E+04 0.99325843 6.80586901 1.52631485 0.20107690E-05 0.79000000E+04 0.99324721 6.91876381 1.52579749 0.27554196E-05 0.79500000E+04 0.99323267 7.03251820 1.52536306 0.37829597E-05 0.80000000E+04 0.99321394 7.14705582 1.52499374 0.53098952E-05 0.80500000E+04 0.99318997 7.26230154 1.52465363 0.75875042E-05 0.81000000E+04 0.99315948 7.37818144 1.52431293 0.10815795E-04 0.81500000E+04 0.99312098 7.49462292 1.52396455 0.15192600E-04 0.82000000E+04 0.99307273 7.61155490 1.52362336 0.21075921E-04 0.82500000E+04 0.99301267 7.72890774 1.52331153 0.29056636E-04 0.83000000E+04 0.99293846 7.84661305 1.52304156 0.39816277E-04 0.83500000E+04 0.99284740 7.96460330 1.52280890 0.53928415E-04 0.84000000E+04 0.99273647 8.08281154 1.52259758 0.71871014E-04 0.84500000E+04 0.99260229 8.20117130 1.52239296 0.94267580E-04 0.85000000E+04 0.99244117 8.31961672 1.52219112 0.12206419E-03 0.85500000E+04 0.99224907 8.43808297 1.52199871 0.15638551E-03 0.86000000E+04 0.99202170 8.55650667 1.52182462 0.19820658E-03 0.86500000E+04 0.99175448 8.67482629 1.52167128 0.24823380E-03 0.87000000E+04 0.99144266 8.79298247 1.52153237 0.30717593E-03 0.87500000E+04 0.99108131 8.91091819 1.52139854 0.37612025E-03 0.88000000E+04 0.99066536 9.02857886 1.52126562 0.45658310E-03 0.88500000E+04 0.99018966 9.14591247 1.52113786 0.55015181E-03 0.89000000E+04 0.98964895 9.26286964 1.52102361 0.65809011E-03 0.89500000E+04 0.98903790 9.37940364 1.52092733 0.78133805E-03 0.90000000E+04 0.98835102 9.49547017 1.52084476 0.92089497E-03 0.90500000E+04 0.98758266 9.61102706 1.52076536 0.10781563E-02 0.91000000E+04 0.98672693 9.72603355 1.52068050 0.12548153E-02 0.91500000E+04 0.98577757 9.84044968 1.52059075 0.14523648E-02 0.92000000E+04 0.98472788 9.95423542 1.52050568 0.16716182E-02 0.92500000E+04 0.98357061 10.06734995 1.52043584 0.19126310E-02 0.93000000E+04 0.98229779 10.17975105 1.52038367 0.21750137E-02 0.93500000E+04 0.98090069 10.29139441 1.52034053 0.24582851E-02 0.94000000E+04 0.97936965 10.40223318 1.52029255 0.27619522E-02 0.94500000E+04 0.97769405 10.51221755 1.52023118 0.30853111E-02 0.95000000E+04 0.97586227 10.62129445 1.52016048 0.34272299E-02 0.95500000E+04 0.97386162 10.72940760 1.52009488 0.37862297E-02 0.96000000E+04 0.97167846 10.83649779 1.52004832 0.41609261E-02 0.96500000E+04 0.96929824 10.94250337 1.52002339 0.45506340E-02 0.97000000E+04 0.96670566 11.04736114 1.52000882 0.49558944E-02 0.97500000E+04 0.96388493 11.15100742 1.51998715 0.53787613E-02 0.98000000E+04 0.96081998 11.25337931 1.51994709 0.58228277E-02 0.98500000E+04 0.95749487 11.35441627 1.51989174 0.62930607E-02 0.99000000E+04 0.95389416 11.45406171 1.51983612 0.67954835E-02 0.99500000E+04 0.95000335 11.55226492 1.51979584 0.73367315E-02 0.10000000E+05 0.94580935 11.64898279 1.51977565 0.79235791E-02 0.10050000E+05 0.94130095 11.74418162 1.51976674 0.85625033E-02 0.10100000E+05 0.93646918 11.83783848 1.51975425 0.92592963E-02 0.10150000E+05 0.93130766 11.92994236 1.51972877 0.10018663E-01 0.10200000E+05 0.92581284 12.02049472 1.51969326 0.10843717E-01 0.10250000E+05 0.91998410 12.10950955 1.51965994 0.11735434E-01 0.10300000E+05 0.91382367 12.19701285 1.51963947 0.12692166E-01 0.10350000E+05 0.90733648 12.28304159 1.51963140 0.13709349E-01 0.10400000E+05 0.90052986 12.36764216 1.51962417 0.14779498E-01 0.10450000E+05 0.89341315 12.45086850 1.51960462 0.15892475E-01 0.10500000E+05 0.88599725 12.53278003 1.51956945 0.17036030E-01 0.10550000E+05 0.87829416 12.61343958 1.51952960 0.18196541E-01 0.10600000E+05 0.87031648 12.69291128 1.51950326 0.19359861E-01 0.10650000E+05 0.86207705 12.77125882 1.51950168 0.20512192E-01 0.10700000E+05 0.85358849 12.84854379 1.51951876 0.21640874E-01 0.10750000E+05 0.84486292 12.92482441 1.51953330 0.22734979E-01 0.10800000E+05 0.83591166 13.00015449 1.51952351 0.23785663E-01 0.10850000E+05 0.82674508 13.07458277 1.51948321 0.24786250E-01 0.10900000E+05 0.81737243 13.14815245 1.51942812 0.25732114E-01 0.10950000E+05 0.80780179 13.22090104 1.51938668 0.26620447E-01 0.11000000E+05 0.79804012 13.29286051 1.51938064 0.27449901E-01 0.11050000E+05 0.78809332 13.36405767 1.51940877 0.28220163E-01 0.11100000E+05 0.77796642 13.43451479 1.51944625 0.28931549E-01 0.11150000E+05 0.76766380 13.50425041 1.51946096 0.29584669E-01 0.11200000E+05 0.75718945 13.57328037 1.51943536 0.30180075E-01 0.11250000E+05 0.74654730 13.64161884 1.51937898 0.30717891E-01 0.11300000E+05 0.73574148 13.70927935 1.51932280 0.31197424E-01 0.11350000E+05 0.72477662 13.77627572 1.51929846 0.31616899E-01 0.11400000E+05 0.71365809 13.84262287 1.51931638 0.31973424E-01 0.11450000E+05 0.70239218 13.90833727 1.51935860 0.32263235E-01 0.11500000E+05 0.69098620 13.97343724 1.51939130 0.32482251E-01 0.11550000E+05 0.67944851 14.03794286 1.51938810 0.32626806E-01 0.11600000E+05 0.66778843 14.10187560 1.51934778 0.32694319E-01 0.11650000E+05 0.65601609 14.16525767 1.51929477 0.32683714E-01 0.11700000E+05 0.64414224 14.22811114 1.51926178 0.32595528E-01 0.11750000E+05 0.63217798 14.29045694 1.51926652 0.32431707E-01 0.11800000E+05 0.62013451 14.35231383 1.51929945 0.32195187E-01 0.11850000E+05 0.60802295 14.41369736 1.51933122 0.31889459E-01 0.11900000E+05 0.59585417 14.47461917 1.51933417 0.31518396E-01 0.11950000E+05 0.58363873 14.53508644 1.51930231 0.31086408E-01 0.12000000E+05 0.57138687 14.59510175 1.51925610 0.30598736E-01 0.12050000E+05 0.55910861 14.65466333 1.51922808 0.30061527E-01 0.12100000E+05 0.54681382 14.71376557 1.51923847 0.29481534E-01 0.12150000E+05 0.53451234 14.77239986 1.51927881 0.28865447E-01 0.12200000E+05 0.52221406 14.83055557 1.51931652 0.28219099E-01 0.12250000E+05 0.50992905 14.88822103 1.51931764 0.27546968E-01 0.12300000E+05 0.49766758 14.94538452 1.51927220 0.26852337E-01 0.12350000E+05 0.48544017 15.00203509 1.51920456 0.26138027E-01 0.12400000E+05 0.47325757 15.05816327 1.51915965 0.25407181E-01 0.12450000E+05 0.46113079 15.11376152 1.51917208 0.24663522E-01 0.12500000E+05 0.44907104 15.16882467 1.51923928 0.23910905E-01 0.12550000E+05 0.43708968 15.22335003 1.51931892 0.23152405E-01 0.12600000E+05 0.42519812 15.27733738 1.51935423 0.22389464E-01 0.12650000E+05 0.41340773 15.33078876 1.51931185 0.21621696E-01 0.12700000E+05 0.40172964 15.38370802 1.51920770 0.20847617E-01 0.12750000E+05 0.39017462 15.43610010 1.51910195 0.20065969E-01 0.12800000E+05 0.37875290 15.48797022 1.51906273 0.19276816E-01 0.12850000E+05 0.36747404 15.53932283 1.51912083 0.18481787E-01 0.12900000E+05 0.35634682 15.59016070 1.51924630 0.17683414E-01 0.12950000E+05 0.34537919 15.64048399 1.51936317 0.16884089E-01 0.13000000E+05 0.33457829 15.69028960 1.51939469 0.16085310E-01 0.13050000E+05 0.32395047 15.73957084 1.51931240 0.15287744E-01 0.13100000E+05 0.31350136 15.78831737 1.51915762 0.14492117E-01 0.13150000E+05 0.30323597 15.83651542 1.51901926 0.13700355E-01 0.13200000E+05 0.29315870 15.88414833 1.51898032 0.12916188E-01 0.13250000E+05 0.28327345 15.93119709 1.51906720 0.12144815E-01 0.13300000E+05 0.27358364 15.97764095 1.51923239 0.11391893E-01 0.13350000E+05 0.26409224 16.02345803 1.51938041 0.10662498E-01 0.13400000E+05 0.25480182 16.06862584 1.51942261 0.99606446E-02 0.13450000E+05 0.24571457 16.11312171 1.51932946 0.92894961E-02 0.13500000E+05 0.23683237 16.15692332 1.51914863 0.86519697E-02 0.13550000E+05 0.22815678 16.20000911 1.51897841 0.80512023E-02 0.13600000E+05 0.21968912 16.24235871 1.51891355 0.74904875E-02 0.13650000E+05 0.21143049 16.28395325 1.51899332 0.69727311E-02 0.13700000E+05 0.20338176 16.32477554 1.51917834 0.64998245E-02 0.13750000E+05 0.19554366 16.36481001 1.51936910 0.60723764E-02 0.13800000E+05 0.18791669 16.40404256 1.51945796 0.56899393E-02 0.13850000E+05 0.18050120 16.44246015 1.51938782 0.53515027E-02 0.13900000E+05 0.17329730 16.48005040 1.51918628 0.50558821E-02 0.13950000E+05 0.16630490 16.51680114 1.51895687 0.48017653E-02 0.14000000E+05 0.15952364 16.55270002 1.51882814 0.45874704E-02 0.14050000E+05 0.15295290 16.58773402 1.51888269 0.44106640E-02 0.14100000E+05 0.14659176 16.62188905 1.51910440 0.42682840E-02 0.14150000E+05 0.14043903 16.65514945 1.51937735 0.41567459E-02 0.14200000E+05 0.13449319 16.68749749 1.51954309 0.40723040E-02 0.14250000E+05 0.12875241 16.71891288 1.51949028 0.40113477E-02 0.14300000E+05 0.12321451 16.74937234 1.51922838 0.39704960E-02 0.14350000E+05 0.11787697 16.77884925 1.51889685 0.39465281E-02 0.14400000E+05 0.11273696 16.80731352 1.51869297 0.39362979E-02 0.14450000E+05 0.10779131 16.83473150 1.51875467 0.39367454E-02 0.14500000E+05 0.10303654 16.86106604 1.51906843 0.39449985E-02 0.14550000E+05 0.09846891 16.88627673 1.51946136 0.39584871E-02 0.14600000E+05 0.09408441 16.91032020 1.51969237 0.39749923E-02 0.14650000E+05 0.08987878 16.93315065 1.51959887 0.39926096E-02 0.14700000E+05 0.08584757 16.95472065 1.51921092 0.40096784E-02 0.14750000E+05 0.08198614 16.97498222 1.51875090 0.40247403E-02 0.14800000E+05 0.07828973 16.99388827 1.51850729 0.40365622E-02 0.14850000E+05 0.07475349 17.01139454 1.51865543 0.40441943E-02 0.14900000E+05 0.07137256 17.02746169 1.51913388 0.40470062E-02 0.14950000E+05 0.06814206 17.04205782 1.51965991 0.40446665E-02 0.15000000E+05 0.06505716 17.05516091 1.51989221 0.40370656E-02 0.15050000E+05 0.06211308 17.06676142 1.51965211 0.40242118E-02 0.15100000E+05 0.05930514 17.07686461 1.51905871 0.40061453E-02 0.15150000E+05 0.05662874 17.08549274 1.51847667 0.39829057E-02 0.15200000E+05 0.05407940 17.09268701 1.51829570 0.39545605E-02 0.15250000E+05 0.05165274 17.09850916 1.51867195 0.39212618E-02 0.15300000E+05 0.04934452 17.10304277 1.51939819 0.38832870E-02 0.15350000E+05 0.04715057 17.10639418 1.52000788 0.38410353E-02 0.15400000E+05 0.04506687 17.10869284 1.52007190 0.37949769E-02 0.15450000E+05 0.04308945 17.11009119 1.51950161 0.37455747E-02 0.15500000E+05 0.04121447 17.11076391 1.51864329 0.36932131E-02 0.15550000E+05 0.03943812 17.11090655 1.51807562 0.36381728E-02 0.15600000E+05 0.03775668 17.11073342 1.51822154 0.35806658E-02 0.15650000E+05 0.03616648 17.11047496 1.51903082 0.35209028E-02 0.15700000E+05 0.03466388 17.11037427 1.51997280 0.34591414E-02 0.15750000E+05 0.03324529 17.11068307 1.52037953 0.33956884E-02 0.15800000E+05 0.03190712 17.11165704 1.51992161 0.33308618E-02 0.15850000E+05 0.03064580 17.11355056 1.51887681 0.32649453E-02 0.15900000E+05 0.02945780 17.11661119 1.51797364 0.31981656E-02 0.15950000E+05 0.02833957 17.12107406 1.51788516 0.31307010E-02 0.16000000E+05 0.02728760 17.12715628 1.51872068 0.30627084E-02 0.16050000E+05 0.02629839 17.13505182 1.51990520 0.29943408E-02 0.16100000E+05 0.02536848 17.14492696 1.52057156 0.29257478E-02 0.16150000E+05 0.02449443 17.15691638 1.52019908 0.28570728E-02 0.16200000E+05 0.02367286 17.17112031 1.51902543 0.27884584E-02 0.16250000E+05 0.02290044 17.18760265 1.51790602 0.27200521E-02 0.16300000E+05 0.02217391 17.20639017 1.51769264 0.26519970E-02 0.16350000E+05 0.02149010 17.22747298 1.51857663 0.25844147E-02 0.16400000E+05 0.02084594 17.25080602 1.51991185 0.25174012E-02 0.16450000E+05 0.02023845 17.27631146 1.52068600 0.24510395E-02 0.16500000E+05 0.01966477 17.30388196 1.52029405 0.23854141E-02 0.16550000E+05 0.01912219 17.33338453 1.51901568 0.23206078E-02 0.16600000E+05 0.01860812 17.36466481 1.51782052 0.22566873E-02 0.16650000E+05 0.01812010 17.39755175 1.51763448 0.21936998E-02 0.16700000E+05 0.01765583 17.43186226 1.51861534 0.21316915E-02 0.16750000E+05 0.01721318 17.46740588 1.52001037 0.20707280E-02 0.16800000E+05 0.01679013 17.50398910 1.52073413 0.20108893E-02 0.16850000E+05 0.01638487 17.54141923 1.52022043 0.19522370E-02 0.16900000E+05 0.01599568 17.57950785 1.51886923 0.18947881E-02 0.16950000E+05 0.01562104 17.61807364 1.51773537 0.18385247E-02 0.17000000E+05 0.01525956 17.65694474 1.51770538 0.17834328E-02 0.17050000E+05 0.01490996 17.69596057 1.51879991 0.17295335E-02 0.17100000E+05 0.01457113 17.73497315 1.52015186 0.16768761E-02 0.17150000E+05 0.01424208 17.77384792 1.52069303 0.16255035E-02 0.17200000E+05 0.01392191 17.81246411 1.52000545 0.15754231E-02 0.17250000E+05 0.01360985 17.85071480 1.51864805 0.15266077E-02 0.17300000E+05 0.01330524 17.88850659 1.51770111 0.14790226E-02 0.17350000E+05 0.01300748 17.92575918 1.51790509 0.14326507E-02 0.17400000E+05 0.01271607 17.96240466 1.51907886 0.13874983E-02 0.17450000E+05 0.01243059 17.99838667 1.52027329 0.13435776E-02 0.17500000E+05 0.01215067 18.03365953 1.52053868 0.13008864E-02 0.17550000E+05 0.01187601 18.06818715 1.51968585 0.12594001E-02 0.17600000E+05 0.01160636 18.10194208 1.51842217 0.12190828E-02 0.17650000E+05 0.01134150 18.13490455 1.51776358 0.11799052E-02 0.17700000E+05 0.01108125 18.16706149 1.51821591 0.11418545E-02 0.17750000E+05 0.01082548 18.19840568 1.51938510 0.11049284E-02 0.17800000E+05 0.01057406 18.22893489 1.52031501 0.10691182E-02 0.17850000E+05 0.01032691 18.25865113 1.52027051 0.10343971E-02 0.17900000E+05 0.01008395 18.28755986 1.51932319 0.10007252E-02 0.17950000E+05 0.00984512 18.31566937 1.51826518 0.96806564E-03 0.18000000E+05 0.00961037 18.34299024 1.51794515 0.93639655E-03 0.18050000E+05 0.00937965 18.36953485 1.51858734 0.90570741E-03 0.18100000E+05 0.00915294 18.39531698 1.51963771 0.87598473E-03 0.18150000E+05 0.00893021 18.42035145 1.52023725 0.84720201E-03 0.18200000E+05 0.00871142 18.44465382 1.51992587 0.81932380E-03 0.18250000E+05 0.00849658 18.46824014 1.51899881 0.79231810E-03 0.18300000E+05 0.00828564 18.49112675 1.51823060 0.76616349E-03 0.18350000E+05 0.00807860 18.51333011 1.51822506 0.74084412E-03 0.18400000E+05 0.00787544 18.53486677 1.51894380 0.71633941E-03 0.18450000E+05 0.00767614 18.55575322 1.51977438 0.69262072E-03 0.18500000E+05 0.00748068 18.57600589 1.52004694 0.66965810E-03 0.18550000E+05 0.00728905 18.59564104 1.51957352 0.64742901E-03 0.18600000E+05 0.00710122 18.61467476 1.51877859 0.62591956E-03 0.18650000E+05 0.00691717 18.63312294 1.51832060 0.60511775E-03 0.18700000E+05 0.00673688 18.65100128 1.51854247 0.58500639E-03 0.18750000E+05 0.00656033 18.66832526 1.51922078 0.56556149E-03 0.18800000E+05 0.00638750 18.68511024 1.51978664 0.54675570E-03 0.18850000E+05 0.00621834 18.70137136 1.51979686 0.52856257E-03 0.18900000E+05 0.00605284 18.71712358 1.51927630 0.51095932E-03 0.18950000E+05 0.00589097 18.73238166 1.51867665 0.49392846E-03 0.19000000E+05 0.00573269 18.74716012 1.51848868 0.47745880E-03 0.19050000E+05 0.00557796 18.76147329 1.51883617 0.46154429E-03 0.19100000E+05 0.00542676 18.77533525 1.51940114 0.44617876E-03 0.19150000E+05 0.00527904 18.78875984 1.51971576 0.43134874E-03 0.19200000E+05 0.00513477 18.80176064 1.51954425 0.41702970E-03 0.19250000E+05 0.00499389 18.81435095 1.51905269 0.40319021E-03 0.19300000E+05 0.00485638 18.82654375 1.51865877 0.38980198E-03 0.19350000E+05 0.00472218 18.83835169 1.51868369 0.37684812E-03 0.19400000E+05 0.00459125 18.84978706 1.51908600 0.36432293E-03 0.19450000E+05 0.00446354 18.86086184 1.51951125 0.35222445E-03 0.19500000E+05 0.00433900 18.87158763 1.51960611 0.34054702E-03 0.19550000E+05 0.00421758 18.88197568 1.51930883 0.32927983E-03 0.19600000E+05 0.00409923 18.89203684 1.51888279 0.31841003E-03 0.19650000E+05 0.00398390 18.90178153 1.51869042 0.30792432E-03 0.19700000E+05 0.00387153 18.91121975 1.51889143 0.29780595E-03 0.19750000E+05 0.00376207 18.92036110 1.51930598 0.28803167E-03 0.19800000E+05 0.00365547 18.92921479 1.51957161 0.27857512E-03 0.19850000E+05 0.00355167 18.93778968 1.51946267 0.26941652E-03 0.19900000E+05 0.00345061 18.94609429 1.51908131 0.26055027E-03 0.19950000E+05 0.00335224 18.95413677 1.51876075 0.25198278E-03 0.20000000E+05 0.00325650 18.96192492 1.51877901 0.24372115E-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 -0.010683 1.71944 2 0.1554312 -0.017339 1.16550 3 0.1597487 -0.012556 0.63529 4 0.1640662 -0.001534 0.11411 5 0.1683837 0.007725 -0.41337 6 0.1727013 0.009680 -0.95514 7 0.1770188 0.004522 -1.50319 8 0.1813363 -0.002718 -2.03644 9 0.1856539 -0.006357 -2.53988 10 0.1899714 -0.004272 -3.01773 11 0.1942889 0.000988 2.79536 12 0.1986065 0.004756 2.31680 13 0.2029240 0.004153 1.83107 14 0.2072415 0.000196 1.35956 15 0.2115591 -0.003424 0.92200 16 0.2158766 -0.003618 0.51698 17 0.2201941 -0.000445 0.12787 18 0.2245117 0.003103 -0.25987 19 0.2288292 0.003768 -0.64548 20 0.2331467 0.000933 -1.01449 21 0.2374643 -0.002725 -1.35617 22 0.2417818 -0.003615 -1.67526 23 0.2460993 -0.000740 -1.98607 24 0.2504169 0.003004 -2.29864 25 0.2547344 0.003561 -2.60947 26 0.2590519 0.000154 -2.90655 27 0.2633695 -0.003440 3.09831 28 0.2676870 -0.002946 2.83022 29 0.2720045 0.001177 2.55954 30 0.2763221 0.003886 2.28322 31 0.2806396 0.001688 2.01180 32 0.2849571 -0.002643 1.75549 33 0.2892746 -0.003389 1.51021 34 0.2935922 0.000457 1.26269 35 0.2979097 0.003566 1.00777 36 0.3022272 0.001550 0.75666 37 0.3065448 -0.002707 0.52197 38 0.3108623 -0.003031 0.29976 39 0.3151798 0.001009 0.07565 40 0.3194974 0.003336 -0.15452 41 0.3238149 0.000456 -0.37726 42 0.3281324 -0.003157 -0.58136 43 0.3324500 -0.001921 -0.77498 44 0.3367675 0.002131 -0.97361 45 0.3410850 0.002559 -1.17707 46 0.3454026 -0.001209 -1.36900 47 0.3497201 -0.003005 -1.54316 48 0.3540376 -0.000004 -1.71398 49 0.3583552 0.002707 -1.89494 50 0.3626727 0.000668 -2.07695 51 0.3669902 -0.002556 -2.24231 52 0.3713078 -0.001553 -2.39482 53 0.3756253 0.001768 -2.55441 54 0.3799428 0.001669 -2.72499 55 0.3842604 -0.001481 -2.88586 56 0.3885779 -0.002101 -3.02708 57 0.3928954 0.000727 3.11595 58 0.3972129 0.001906 2.96065 59 0.4015305 -0.000468 2.80602 60 0.4058480 -0.001952 2.67361 61 0.4101655 0.000046 2.55143 62 0.4144831 0.001822 2.41434 63 0.4188006 0.000357 2.26907 64 0.4231181 -0.001397 2.14483 65 0.4274357 -0.000202 2.03870 66 0.4317532 0.001729 1.92003 67 0.4360707 0.001142 1.78522 68 0.4403883 -0.000421 1.66768 69 0.4447058 0.000213 1.57417 70 0.4490233 0.002144 1.47065 71 0.4533409 0.002401 1.34405 72 0.4576584 0.001337 1.23081 73 0.4619759 0.001752 1.14655 74 0.4662935 0.003877 1.05417 75 0.4706110 0.005165 0.93264 76 0.4749285 0.004924 0.82216 77 0.4792461 0.005614 0.74516 78 0.4835636 0.008484 0.65979 79 0.4878811 0.011176 0.53968 80 0.4921987 0.012035 0.43161 81 0.4965162 0.013626 0.36118 82 0.5008337 0.018148 0.27878 83 0.5051512 0.022804 0.15747 84 0.5094688 0.025111 0.05492 85 0.5137863 0.028576 -0.00589 86 0.5181038 0.036055 -0.08352 87 0.5224214 0.043258 -0.19748 88 0.5267389 0.047342 -0.28060 89 0.5310564 0.053854 -0.32266 90 0.5353740 0.065490 -0.39048 91 0.5396915 0.075350 -0.49108 92 0.5440090 0.081317 -0.55102 93 0.5483266 0.091663 -0.57602 ******************************************************************************** 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 0.9997135E+00 0.1747736E-01 0.3893666E+00 1 0.2786041E-07 0.3079914E-01 0.1541911E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1292199E-06 0 26 1 0 0.1530395E-06 0 31 1 1 0.5744664E-06 0 13 3 -3 0.8744051E-08 0 17 3 -2 0.1669880E-07 0 22 3 -1 0.2803384E-07 0 27 3 0 0.1932628E-06 0 32 3 1 0.3723267E-06 0 36 3 2 0.2155621E-05 0 40 3 3 0.3974261E-05 0 7 5 -5 0.1051074E-09 0 10 5 -4 0.2883478E-09 0 14 5 -3 0.7734694E-09 0 18 5 -2 0.8147484E-08 0 23 5 -1 0.1315063E-07 0 28 5 0 0.1652835E-06 0 33 5 1 0.5161856E-06 0 37 5 2 0.4693879E-05 0 41 5 3 0.1740967E-04 0 44 5 4 0.2645797E-04 0 47 5 5 0.8676281E-04 0 3 7 -7 0.4348243E-11 0 5 7 -6 0.3113226E-11 0 8 7 -5 0.2135986E-11 0 11 7 -4 0.8835018E-11 0 15 7 -3 0.6646577E-10 0 19 7 -2 0.1205098E-08 0 24 7 -1 0.7400983E-08 0 29 7 0 0.9895933E-07 0 34 7 1 0.2560151E-06 0 38 7 2 0.7631696E-05 0 42 7 3 0.1171683E-03 0 45 7 4 0.3815206E-02 0 48 7 5 0.7642690E-01 0 50 7 6 0.8445851E+00 0 52 7 7 0.7461750E-01 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 0.2952047E-09 1 26 1 0 0.1667887E-07 1 31 1 1 0.1051828E-07 1 13 3 -3 0.4193585E-15 1 17 3 -2 0.4117916E-16 1 22 3 -1 0.6560527E-18 1 27 3 0 0.2470448E-09 1 32 3 1 0.4343864E-17 1 36 3 2 0.1088623E-16 1 40 3 3 0.1210061E-09 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 0.4767432E-16 1 0.1823864E-08 2 0.7878455E-08 3 0.1019576E-07 4 0.1251307E-07 5 0.1804854E-07 6 0.1764675E-07 7 0.3249826E-07 8 0.1784990E-07 9 0.1076527E-07 v, j, mj = 0 1 0 0 0.1865180E-07 1 0.2882987E-07 2 0.1063656E-07 3 0.1443859E-07 4 0.1423476E-07 5 0.3073528E-07 6 0.2045543E-07 7 0.1057480E-07 8 0.3863608E-08 9 0.6187536E-09 v, j, mj = 0 1 1 0 0.1387691E-15 1 0.2687198E-08 2 0.3042539E-07 3 0.4268313E-07 4 0.2102015E-07 5 0.1264246E-06 6 0.2050887E-06 7 0.1083717E-06 8 0.3047046E-07 9 0.7295057E-08 v, j, mj = 0 3 -3 0 0.1426935E-11 1 0.4257929E-09 2 0.5911072E-09 3 0.7866411E-09 4 0.5863669E-09 5 0.4724598E-09 6 0.1160524E-08 7 0.2627081E-08 8 0.2082013E-08 9 0.1063731E-10 v, j, mj = 0 3 -2 0 0.1014962E-15 1 0.2559925E-08 2 0.5423662E-09 3 0.1036753E-08 4 0.9770781E-09 5 0.2468786E-08 6 0.4689814E-08 7 0.2778318E-08 8 0.1550453E-08 9 0.9530905E-10 v, j, mj = 0 3 -1 0 0.1440051E-15 1 0.2282155E-08 2 0.4689094E-08 3 0.5596071E-08 4 0.3177431E-08 5 0.4053584E-08 6 0.2908354E-08 7 0.2938292E-08 8 0.2228029E-08 9 0.1608305E-09 v, j, mj = 0 3 0 0 0.2309990E-08 1 0.1105154E-07 2 0.2404852E-07 3 0.6670794E-08 4 0.1334230E-07 5 0.4529559E-07 6 0.6715837E-07 7 0.1787389E-07 8 0.5350254E-08 9 0.1615648E-09 v, j, mj = 0 3 1 0 0.1579454E-15 1 0.2142448E-07 2 0.2873609E-07 3 0.1104076E-06 4 0.1008686E-06 5 0.7045368E-07 6 0.2500732E-07 7 0.1189828E-07 8 0.3329074E-08 9 0.2016229E-09 v, j, mj = 0 3 2 0 0.6764459E-16 1 0.1583124E-06 2 0.5408777E-06 3 0.3593663E-06 4 0.5552495E-06 5 0.1585638E-06 6 0.3099421E-06 7 0.6674484E-07 8 0.6531175E-08 9 0.3275498E-10 v, j, mj = 0 3 3 0 0.5181472E-07 1 0.5901171E-07 2 0.1908915E-06 3 0.6421798E-06 4 0.1846017E-05 5 0.7978109E-06 6 0.2905472E-06 7 0.9135721E-07 8 0.4536748E-08 9 0.9418345E-10 v, j, mj = 0 5 -5 0 0.1299357E-14 1 0.5525333E-12 2 0.1447114E-11 3 0.9922176E-12 4 0.4377790E-11 5 0.1621141E-10 6 0.4216733E-10 7 0.3935771E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.8428604E-16 1 0.6911723E-11 2 0.1325428E-10 3 0.4723488E-11 4 0.1704994E-10 5 0.2719295E-10 6 0.7743031E-10 7 0.1417850E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.8312852E-13 1 0.5995480E-10 2 0.1441016E-09 3 0.7874301E-10 4 0.5696564E-10 5 0.4834791E-10 6 0.1581059E-09 7 0.2271674E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.2693156E-16 1 0.1608235E-08 2 0.7010534E-09 3 0.3080751E-09 4 0.7473010E-09 5 0.1198894E-08 6 0.2017103E-08 7 0.1566823E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.9335164E-16 1 0.1593186E-08 2 0.4895576E-09 3 0.9564155E-09 4 0.1315258E-08 5 0.5499711E-09 6 0.4310930E-08 7 0.3935306E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1171152E-07 1 0.3134639E-07 2 0.1527174E-07 3 0.9437077E-08 4 0.3143503E-07 5 0.2765472E-07 6 0.2832209E-07 7 0.1010490E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1252482E-15 1 0.1047029E-07 2 0.1128912E-06 3 0.1680226E-06 4 0.1330086E-06 5 0.2407103E-07 6 0.5315621E-07 7 0.1456573E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.8691232E-15 1 0.9224395E-06 2 0.1067910E-05 3 0.1726945E-05 4 0.4189680E-06 5 0.3570189E-06 6 0.1699847E-06 7 0.3061345E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.9251287E-07 1 0.1560802E-05 2 0.1047144E-04 3 0.4050489E-05 4 0.8637737E-06 5 0.1710784E-06 6 0.1778507E-06 7 0.2172983E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3019863E-14 1 0.5236442E-05 2 0.9260914E-06 3 0.1358753E-04 4 0.5925955E-05 5 0.5334327E-06 6 0.2045373E-06 7 0.4397550E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.3211219E-15 1 0.1915778E-04 2 0.5002978E-04 3 0.3633448E-05 4 0.1050405E-04 5 0.3333599E-05 6 0.8037734E-07 7 0.2377625E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1021680E-15 1 0.1318064E-12 2 0.2886498E-12 3 0.5504661E-12 4 0.2377433E-11 5 0.9997856E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1360717E-14 1 0.2514328E-13 2 0.1614938E-13 3 0.2910177E-12 4 0.5715401E-12 5 0.2208015E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1619943E-15 1 0.8742455E-13 2 0.2043050E-12 3 0.4904425E-12 4 0.9479628E-12 5 0.4056895E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1055771E-16 1 0.4098549E-13 2 0.1249011E-12 3 0.3978147E-12 4 0.3993727E-11 5 0.4277579E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.3701912E-12 1 0.1554100E-11 2 0.1576926E-11 3 0.5056888E-11 4 0.2609877E-10 5 0.3180890E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5665751E-17 1 0.2295151E-10 2 0.1465368E-10 3 0.8023831E-10 4 0.7546679E-09 5 0.3325865E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1308231E-16 1 0.8634196E-09 2 0.7098288E-09 3 0.1741473E-08 4 0.1092770E-08 5 0.2993492E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.6068364E-08 1 0.8848567E-08 2 0.1748330E-07 3 0.1346201E-07 4 0.3476924E-07 5 0.1832785E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.3252031E-17 1 0.4567406E-07 2 0.6879584E-07 3 0.3797082E-07 4 0.4325717E-07 5 0.6031721E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.6271171E-16 1 0.1532045E-05 2 0.3396383E-05 3 0.1736476E-05 4 0.6599635E-06 5 0.3068282E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2778209E-06 1 0.8961327E-05 2 0.7556587E-04 3 0.3125346E-04 4 0.9439326E-06 5 0.1658470E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2130509E-16 1 0.5082999E-03 2 0.2672801E-02 3 0.6109265E-03 4 0.2278839E-04 5 0.3906982E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8442329E-16 1 0.2474844E-01 2 0.4494286E-01 3 0.6616348E-02 4 0.1189538E-03 5 0.2957156E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1279538E+00 1 0.3702924E+00 2 0.3221636E+00 3 0.2393462E-01 4 0.2400339E-03 5 0.7229517E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2972747E-16 1 0.9674227E-02 2 0.5282421E-01 3 0.1186994E-01 4 0.2487285E-03 5 0.3948182E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1106868E-16 1 0.8484635E-10 2 0.4928794E-10 3 0.1610704E-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 0.3278599E-08 1 0.2465430E-08 2 0.1002176E-07 3 0.9130868E-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 0.6293309E-16 1 0.4895013E-09 2 0.3091118E-08 3 0.6937659E-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 0.4193585E-15 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 0.4117916E-16 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 0.6560527E-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 0.2470448E-09 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 0.4343864E-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 3 2 0 0.1088623E-16 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 0.1210061E-09 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 = 0.9997136 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.389367 average diffraction energy (ev) = 0.017477 the reaction probability = 0.2864383D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42328815D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1003335E+01 0.2831690E-01 0.3893219E+00 1 0.4644930E-06 0.2288566E-01 0.7522904E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1328453E-06 0 26 1 0 0.2509536E-06 0 31 1 1 0.5762444E-06 0 13 3 -3 0.1715838E-07 0 17 3 -2 0.3581960E-07 0 22 3 -1 0.6548684E-07 0 27 3 0 0.3560101E-06 0 32 3 1 0.1042998E-05 0 36 3 2 0.4476329E-05 0 40 3 3 0.5259579E-05 0 7 5 -5 0.3481221E-09 0 10 5 -4 0.8109252E-09 0 14 5 -3 0.2322256E-08 0 18 5 -2 0.1365897E-07 0 23 5 -1 0.3121700E-07 0 28 5 0 0.3997339E-06 0 33 5 1 0.2752896E-05 0 37 5 2 0.1739734E-04 0 41 5 3 0.6728977E-04 0 44 5 4 0.1014360E-03 0 47 5 5 0.1976413E-03 0 3 7 -7 0.2412596E-10 0 5 7 -6 0.8064453E-11 0 8 7 -5 0.8737125E-11 0 11 7 -4 0.2712095E-10 0 15 7 -3 0.3187417E-09 0 19 7 -2 0.2017521E-08 0 24 7 -1 0.1886943E-07 0 29 7 0 0.1213325E-06 0 34 7 1 0.7861406E-06 0 38 7 2 0.2064826E-04 0 42 7 3 0.5107001E-03 0 45 7 4 0.1126945E-01 0 48 7 5 0.1338819E+00 0 50 7 6 0.6803524E+00 0 52 7 7 0.1768954E+00 0 1 9 -9 0.3389193E-13 0 2 9 -8 0.1323765E-12 0 4 9 -7 0.8074119E-13 0 6 9 -6 0.1030442E-12 0 9 9 -5 0.7480775E-13 0 12 9 -4 0.2593668E-13 0 16 9 -3 0.2548280E-12 0 20 9 -2 0.1023730E-11 0 25 9 -1 0.1312179E-10 0 30 9 0 0.5031137E-09 0 35 9 1 0.8409088E-09 0 39 9 2 0.4588537E-08 0 43 9 3 0.1498015E-07 0 46 9 4 0.1271584E-06 0 49 9 5 0.4569720E-06 0 51 9 6 0.1071616E-05 0 53 9 7 0.1467517E-05 0 54 9 8 0.7959505E-06 0 55 9 9 0.2141543E-06 1 21 1 -1 0.2878156E-08 1 26 1 0 0.2697156E-07 1 31 1 1 0.4106001E-07 1 13 3 -3 0.9201918E-11 1 17 3 -2 0.1452219E-10 1 22 3 -1 0.2061560E-08 1 27 3 0 0.9831811E-08 1 32 3 1 0.2659055E-08 1 36 3 2 0.2382332E-06 1 40 3 3 0.1407739E-06 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 0.2953271E-14 1 0.3531550E-08 2 0.1284275E-07 3 0.1266214E-07 4 0.2297692E-07 5 0.2021148E-07 6 0.1671106E-07 7 0.2156556E-07 8 0.1257112E-07 9 0.9772690E-08 v, j, mj = 0 1 0 0 0.2455788E-07 1 0.1000391E-07 2 0.3382645E-07 3 0.4454878E-07 4 0.3506410E-07 5 0.5292733E-07 6 0.3083854E-07 7 0.1579105E-07 8 0.2591690E-08 9 0.8038283E-09 v, j, mj = 0 1 1 0 0.5591548E-14 1 0.4725925E-07 2 0.8219196E-07 3 0.8165650E-07 4 0.7386327E-07 5 0.8335653E-07 6 0.1186949E-06 7 0.5131545E-07 8 0.2801019E-07 9 0.9896360E-08 v, j, mj = 0 3 -3 0 0.1342627E-09 1 0.1684026E-08 2 0.1277950E-08 3 0.2720016E-08 4 0.2165081E-08 5 0.2402428E-08 6 0.1015515E-08 7 0.2473499E-08 8 0.1649131E-08 9 0.1636467E-08 v, j, mj = 0 3 -2 0 0.2513046E-15 1 0.4229899E-08 2 0.6646112E-08 3 0.1961268E-08 4 0.3608276E-08 5 0.6101741E-08 6 0.6567327E-08 7 0.4333453E-08 8 0.1934015E-08 9 0.4375080E-09 v, j, mj = 0 3 -1 0 0.2510967E-14 1 0.4072938E-08 2 0.1234719E-07 3 0.1464886E-07 4 0.1063739E-07 5 0.1226888E-07 6 0.3727515E-08 7 0.5694831E-08 8 0.1115663E-08 9 0.9735745E-09 v, j, mj = 0 3 0 0 0.3566156E-08 1 0.2361982E-07 2 0.5707223E-07 3 0.9046499E-07 4 0.1372995E-07 5 0.5371234E-07 6 0.7717821E-07 7 0.2680743E-07 8 0.8666377E-08 9 0.1192620E-08 v, j, mj = 0 3 1 0 0.1356795E-14 1 0.1328864E-06 2 0.1647425E-06 3 0.4060209E-06 4 0.1986199E-06 5 0.6529199E-07 6 0.4742145E-07 7 0.2169324E-07 8 0.4306829E-08 9 0.2015286E-08 v, j, mj = 0 3 2 0 0.1243803E-14 1 0.7005131E-06 2 0.2005247E-05 3 0.1940193E-06 4 0.9002191E-06 5 0.3106290E-06 6 0.2773905E-06 7 0.8240802E-07 8 0.4970992E-08 9 0.9320339E-09 v, j, mj = 0 3 3 0 0.3658084E-07 1 0.3057955E-06 2 0.1105983E-05 3 0.1771529E-05 4 0.1218307E-05 5 0.4553475E-06 6 0.2618618E-06 7 0.8286604E-07 8 0.1176427E-07 9 0.9544096E-08 v, j, mj = 0 5 -5 0 0.1815324E-13 1 0.4918992E-11 2 0.2516466E-10 3 0.2160064E-10 4 0.5129068E-11 5 0.2026558E-10 6 0.4194653E-10 7 0.1749036E-09 8 0.5417494E-10 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7993652E-15 1 0.5737581E-10 2 0.6377274E-10 3 0.4727024E-10 4 0.4638682E-10 5 0.1232436E-09 6 0.2291668E-09 7 0.1784093E-09 8 0.6529906E-10 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1788415E-10 1 0.5330591E-09 2 0.3572049E-09 3 0.3274593E-09 4 0.1197582E-09 5 0.2669609E-09 6 0.2892046E-09 7 0.3266609E-09 8 0.8406361E-10 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1852131E-15 1 0.4693474E-08 2 0.1061517E-08 3 0.6456190E-09 4 0.1688492E-08 5 0.1355232E-08 6 0.2101735E-08 7 0.1472333E-08 8 0.6405705E-09 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.1401237E-14 1 0.7076618E-08 2 0.1115156E-08 3 0.7480638E-08 4 0.4213192E-08 5 0.1443677E-08 6 0.4360559E-08 7 0.3850415E-08 8 0.1676744E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.7764727E-07 1 0.1875264E-07 2 0.4416266E-07 3 0.9306346E-07 4 0.1094342E-06 5 0.2915754E-07 6 0.1945595E-07 7 0.4685697E-08 8 0.3374534E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2720490E-14 1 0.1381435E-06 2 0.7216217E-06 3 0.1231574E-05 4 0.5142829E-06 5 0.5759238E-07 6 0.4549684E-07 7 0.3787469E-07 8 0.6310421E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2586021E-13 1 0.4982805E-06 2 0.5987765E-05 3 0.9230252E-05 4 0.1185880E-05 5 0.3494037E-06 6 0.1160279E-06 7 0.2344069E-07 8 0.6292948E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.7083904E-07 1 0.7941441E-05 2 0.3510654E-04 3 0.2026290E-04 4 0.3216877E-05 5 0.4014783E-06 6 0.2199342E-06 7 0.5585224E-07 8 0.1389957E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.6996783E-13 1 0.7059688E-04 2 0.3547929E-05 3 0.1001253E-04 4 0.1491523E-04 5 0.1977135E-05 6 0.2816090E-06 7 0.9831907E-07 8 0.6403702E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.9508887E-14 1 0.3894566E-04 2 0.8856820E-04 3 0.1551244E-04 4 0.3671829E-04 5 0.1689073E-04 6 0.9473510E-06 7 0.2567748E-07 8 0.3294990E-07 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1372108E-14 1 0.4463576E-12 2 0.3861186E-12 3 0.1675569E-11 4 0.5296324E-11 5 0.8465926E-11 6 0.7854289E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2775718E-12 1 0.5690470E-12 2 0.1713466E-12 3 0.4710303E-12 4 0.1107266E-11 5 0.3992147E-11 6 0.1476044E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.5082754E-15 1 0.7244315E-13 2 0.1231965E-12 3 0.5453000E-12 4 0.2747075E-11 5 0.2911660E-11 6 0.2336943E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2169484E-15 1 0.9211720E-13 2 0.2205390E-12 3 0.1939778E-11 4 0.4208794E-11 5 0.7467705E-11 6 0.1319180E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2894353E-12 1 0.6926381E-11 2 0.1471498E-10 3 0.5400034E-11 4 0.3275110E-10 5 0.1983679E-09 6 0.6029187E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1439247E-16 1 0.4202061E-10 2 0.5968979E-10 3 0.4663734E-09 4 0.7264089E-09 5 0.2467003E-09 6 0.4763277E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1736157E-16 1 0.2758811E-09 2 0.5330436E-09 3 0.6472180E-08 4 0.1026446E-08 5 0.8433654E-08 6 0.2128222E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3021826E-08 1 0.1173301E-07 2 0.1801223E-07 3 0.3345945E-07 4 0.3848902E-07 5 0.8652649E-08 6 0.7964355E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.7693406E-16 1 0.9741591E-07 2 0.1687375E-06 3 0.2272272E-06 4 0.1231829E-06 5 0.1422667E-06 6 0.2731035E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1115981E-14 1 0.1917304E-05 2 0.7366082E-05 3 0.1023054E-04 4 0.9645118E-06 5 0.1138913E-06 6 0.5592488E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3611710E-06 1 0.6530945E-05 2 0.2523265E-03 3 0.2315078E-03 4 0.1933914E-04 5 0.5828713E-06 6 0.5164796E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.7227223E-14 1 0.1759026E-03 2 0.7073518E-02 3 0.3758080E-02 4 0.2603795E-03 5 0.1505389E-05 6 0.6720171E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.3733111E-15 1 0.1427398E-01 2 0.8680504E-01 3 0.3124718E-01 4 0.1545859E-02 5 0.9726559E-05 6 0.7944966E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2113634E+00 1 0.3926403E-01 2 0.3418734E+00 3 0.8518242E-01 4 0.2654001E-02 5 0.1492869E-04 6 0.1450696E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2228817E-14 1 0.9416682E-02 2 0.8039238E-01 3 0.8061910E-01 4 0.6420517E-02 5 0.4661506E-04 6 0.9612853E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2104341E-15 1 0.2205757E-14 2 0.3147574E-13 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 0.3036456E-15 1 0.3613001E-13 2 0.9594286E-13 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 0.5440448E-18 1 0.5065555E-13 2 0.3008510E-13 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 0.3521477E-13 1 0.6039611E-13 2 0.7433360E-14 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 0.5933669E-16 1 0.2191546E-13 2 0.5283295E-13 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 0.1479562E-16 1 0.5667721E-14 2 0.2025416E-13 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 0.3135503E-13 1 0.9684746E-13 2 0.1266256E-12 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 0.2160879E-15 1 0.3563531E-12 2 0.6671611E-12 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 0.4048324E-17 1 0.4911111E-11 2 0.8210674E-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 0 0 0.1393682E-10 1 0.2610504E-09 2 0.2281265E-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 1 0 0.8605433E-17 1 0.4618266E-09 2 0.3790822E-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 2 0 0.5956606E-16 1 0.3213175E-08 2 0.1375361E-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 0.1092029E-08 1 0.6765226E-08 2 0.7122900E-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 0.5863335E-16 1 0.1861838E-07 2 0.1085400E-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 5 0 0.2219022E-16 1 0.3001455E-06 2 0.1568265E-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 6 0 0.5213311E-06 1 0.5390848E-06 2 0.1119991E-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 7 0 0.6059947E-16 1 0.1369051E-05 2 0.9846531E-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 8 0 0.1188014E-15 1 0.7191842E-06 2 0.7676636E-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 9 0 0.1211817E-07 1 0.1403910E-06 2 0.6164504E-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 = 1 1 -1 0 0.2809961E-16 1 0.3161987E-10 2 0.2022993E-10 3 0.8289242E-09 4 0.1997382E-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 0.1643938E-08 1 0.9756168E-08 2 0.5647511E-08 3 0.9146782E-08 4 0.7771609E-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 1 1 0 0.9800913E-17 1 0.1193852E-08 2 0.5589697E-08 3 0.2082835E-07 4 0.1344811E-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 3 -3 0 0.3758273E-13 1 0.4845396E-12 2 0.6305619E-11 3 0.2374177E-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 3 -2 0 0.2208864E-16 1 0.5906083E-11 2 0.7239485E-11 3 0.1376604E-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 3 -1 0 0.3912026E-17 1 0.5078016E-09 2 0.1485309E-08 3 0.6844978E-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 3 0 0 0.1112375E-08 1 0.4409076E-08 2 0.4132678E-08 3 0.1776810E-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 1 0 0.1918818E-16 1 0.7019199E-09 2 0.1787446E-08 3 0.1696888E-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 2 0 0.8881772E-17 1 0.1924950E-06 2 0.4558039E-07 3 0.1578041E-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 0.1730455E-08 1 0.2775397E-07 2 0.1064047E-06 3 0.4884726E-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 = 1.0033352 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.389322 average diffraction energy (ev) = 0.028317 the reaction probability = -0.3335195D-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 0.9979518E+00 0.3962065E-01 0.3891730E+00 1 0.4270912E-06 0.4566405E-01 0.6043348E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3430769E-06 0 26 1 0 0.8295800E-06 0 31 1 1 0.2327613E-05 0 13 3 -3 0.3800837E-07 0 17 3 -2 0.1415504E-06 0 22 3 -1 0.3475714E-06 0 27 3 0 0.1489727E-05 0 32 3 1 0.3425019E-05 0 36 3 2 0.1256890E-04 0 40 3 3 0.1659640E-04 0 7 5 -5 0.1148158E-08 0 10 5 -4 0.2340549E-08 0 14 5 -3 0.7013725E-08 0 18 5 -2 0.3388738E-07 0 23 5 -1 0.2407710E-06 0 28 5 0 0.2425375E-05 0 33 5 1 0.1858129E-04 0 37 5 2 0.9100965E-04 0 41 5 3 0.2023756E-03 0 44 5 4 0.2965940E-03 0 47 5 5 0.5824484E-03 0 3 7 -7 0.3739353E-10 0 5 7 -6 0.2911801E-10 0 8 7 -5 0.2306785E-10 0 11 7 -4 0.9030536E-10 0 15 7 -3 0.5252345E-09 0 19 7 -2 0.4453918E-08 0 24 7 -1 0.3619917E-07 0 29 7 0 0.2444786E-06 0 34 7 1 0.3809681E-05 0 38 7 2 0.1079597E-03 0 42 7 3 0.2420708E-02 0 45 7 4 0.3288485E-01 0 48 7 5 0.1996308E+00 0 50 7 6 0.4529665E+00 0 52 7 7 0.3086897E+00 0 1 9 -9 0.1735185E-11 0 2 9 -8 0.3113602E-11 0 4 9 -7 0.1147700E-11 0 6 9 -6 0.1860186E-12 0 9 9 -5 0.1174328E-11 0 12 9 -4 0.1205284E-11 0 16 9 -3 0.1239588E-10 0 20 9 -2 0.1428834E-09 0 25 9 -1 0.7527908E-09 0 30 9 0 0.4089400E-08 0 35 9 1 0.1609187E-07 0 39 9 2 0.4539000E-07 0 43 9 3 0.2748183E-06 0 46 9 4 0.9029804E-06 0 49 9 5 0.1454342E-05 0 51 9 6 0.5315528E-05 0 53 9 7 0.4409965E-05 0 54 9 8 0.1464636E-05 0 55 9 9 0.1392746E-05 1 21 1 -1 0.8290262E-08 1 26 1 0 0.2078706E-07 1 31 1 1 0.1243010E-06 1 13 3 -3 0.2543634E-09 1 17 3 -2 0.2005217E-09 1 22 3 -1 0.5272965E-08 1 27 3 0 0.1579232E-07 1 32 3 1 0.8286239E-08 1 36 3 2 0.1201458E-06 1 40 3 3 0.1237319E-06 1 7 5 -5 0.3459526E-17 1 10 5 -4 0.7137994E-18 1 14 5 -3 0.1599895E-15 1 18 5 -2 0.5707004E-17 1 23 5 -1 0.9323938E-20 1 28 5 0 0.1809321E-11 1 33 5 1 0.2914714E-19 1 37 5 2 0.8291207E-20 1 41 5 3 0.2697508E-10 1 44 5 4 0.2659071E-17 1 47 5 5 0.1134785E-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 0.2575313E-13 1 0.3146606E-07 2 0.3269623E-07 3 0.1029219E-06 4 0.4587059E-07 5 0.3960578E-07 6 0.3666733E-07 7 0.3589433E-07 8 0.1082508E-07 9 0.7129518E-08 v, j, mj = 0 1 0 0 0.7534492E-07 1 0.1011717E-07 2 0.1608302E-06 3 0.3297757E-06 4 0.1236235E-06 5 0.5384538E-07 6 0.5177238E-07 7 0.1576268E-07 8 0.7024835E-08 9 0.1483257E-08 v, j, mj = 0 1 1 0 0.2213820E-13 1 0.1893502E-06 2 0.7250898E-06 3 0.7996212E-06 4 0.2840268E-06 5 0.8180410E-07 6 0.1163949E-06 7 0.9665105E-07 8 0.2262446E-07 9 0.1205074E-07 v, j, mj = 0 3 -3 0 0.1060301E-08 1 0.1193364E-08 2 0.3399576E-08 3 0.4973045E-08 4 0.8259941E-08 5 0.8448939E-08 6 0.3652805E-08 7 0.2648518E-08 8 0.1496968E-08 9 0.2874916E-08 v, j, mj = 0 3 -2 0 0.1949331E-14 1 0.1474835E-07 2 0.1124285E-07 3 0.3949691E-07 4 0.3707514E-07 5 0.1567358E-07 6 0.1468563E-07 7 0.5358691E-08 8 0.1989962E-08 9 0.1279220E-08 v, j, mj = 0 3 -1 0 0.6233709E-14 1 0.3372255E-07 2 0.1657134E-07 3 0.1630704E-06 4 0.8030197E-07 5 0.2334100E-07 6 0.1314146E-07 7 0.1378766E-07 8 0.2497031E-08 9 0.1137935E-08 v, j, mj = 0 3 0 0 0.9786047E-07 1 0.3307774E-07 2 0.4993181E-06 3 0.6962225E-06 4 0.2171378E-07 5 0.5853643E-07 6 0.4739827E-07 7 0.2225265E-07 8 0.1037028E-07 9 0.2977064E-08 v, j, mj = 0 3 1 0 0.4271672E-14 1 0.4956619E-06 2 0.1103982E-05 3 0.1405911E-05 4 0.1602516E-06 5 0.1102643E-06 6 0.1161446E-06 7 0.2316081E-07 8 0.6074736E-08 9 0.3568179E-08 v, j, mj = 0 3 2 0 0.3441082E-13 1 0.2605703E-05 2 0.5501544E-05 3 0.3147440E-05 4 0.4910930E-06 5 0.3176483E-06 6 0.4084912E-06 7 0.8034633E-07 8 0.1122025E-07 9 0.5417411E-08 v, j, mj = 0 3 3 0 0.7454340E-08 1 0.1387631E-05 2 0.7816385E-05 3 0.3474228E-05 4 0.1339294E-05 5 0.1378395E-05 6 0.8749382E-06 7 0.2587566E-06 8 0.2797227E-07 9 0.3134545E-07 v, j, mj = 0 5 -5 0 0.1310045E-12 1 0.2654129E-10 2 0.7886928E-10 3 0.1109871E-09 4 0.1623237E-09 5 0.1353070E-09 6 0.1655626E-09 7 0.2426903E-09 8 0.2257458E-09 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1630906E-14 1 0.2206096E-09 2 0.7803939E-09 3 0.2496673E-09 4 0.1430646E-09 5 0.2368739E-09 6 0.2863182E-09 7 0.2810212E-09 8 0.1425990E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5110325E-11 1 0.1643545E-08 2 0.1234351E-08 3 0.8762331E-09 4 0.1022717E-08 5 0.9290584E-09 6 0.7137355E-09 7 0.3901814E-09 8 0.1987934E-09 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.2652003E-14 1 0.5577622E-08 2 0.7653288E-08 3 0.9079538E-08 4 0.7053940E-08 5 0.1791303E-08 6 0.1014042E-08 7 0.7892415E-09 8 0.9284037E-09 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.8918414E-14 1 0.2253998E-07 2 0.7793197E-08 3 0.1488213E-06 4 0.4331785E-07 5 0.7306405E-08 6 0.3237846E-08 7 0.5562464E-08 8 0.2191950E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.1088975E-06 1 0.2209016E-07 2 0.4080769E-06 3 0.1230966E-05 4 0.5618386E-06 5 0.6892112E-07 6 0.1450628E-07 7 0.5344290E-08 8 0.4733480E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1871998E-13 1 0.8111726E-07 2 0.6405661E-05 3 0.9351793E-05 4 0.2530394E-05 5 0.1484942E-06 6 0.3114684E-07 7 0.2757453E-07 8 0.5107098E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2416955E-12 1 0.1547473E-05 2 0.3895194E-04 3 0.4416497E-04 4 0.5862765E-05 5 0.3732755E-06 6 0.7729039E-07 7 0.1919485E-07 8 0.1274857E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.1474614E-06 1 0.2679137E-04 2 0.1007454E-03 3 0.6507087E-04 4 0.8487050E-05 5 0.7256356E-06 6 0.3120757E-06 7 0.6109145E-07 8 0.3466084E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.3705653E-12 1 0.2265845E-03 2 0.2537649E-04 3 0.1206630E-04 4 0.2248720E-04 5 0.8728530E-05 6 0.1206674E-05 7 0.1176681E-06 8 0.2662808E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.4584302E-13 1 0.1599304E-04 2 0.3262746E-03 3 0.2060380E-04 4 0.1180382E-03 5 0.9333124E-04 6 0.7943852E-05 7 0.2139808E-06 8 0.4959142E-07 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.2405711E-13 1 0.2086145E-11 2 0.1366550E-11 3 0.1064392E-11 4 0.2912470E-11 5 0.1053715E-10 6 0.1771133E-10 7 0.1691432E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1764213E-12 1 0.5993829E-12 2 0.6106125E-12 3 0.2207676E-11 4 0.2989648E-11 5 0.7450078E-11 6 0.1410907E-10 7 0.9751257E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2055962E-13 1 0.2300097E-12 2 0.3075557E-11 3 0.6058408E-12 4 0.2117637E-11 5 0.1134835E-10 6 0.3761949E-11 7 0.1907951E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.6951959E-15 1 0.3890422E-11 2 0.3568440E-11 3 0.4855491E-11 4 0.1495452E-10 5 0.2480161E-10 6 0.3565506E-10 7 0.2579127E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.8230426E-12 1 0.6250286E-11 2 0.2297102E-10 3 0.4810091E-10 4 0.5407369E-10 5 0.1905353E-09 6 0.1778576E-09 7 0.2462269E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4906201E-15 1 0.5610797E-10 2 0.2965511E-09 3 0.1073819E-08 4 0.1019122E-08 5 0.5473060E-09 6 0.1403487E-08 7 0.5752382E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.4139225E-15 1 0.6109308E-08 2 0.1735940E-08 3 0.1186428E-07 4 0.4674629E-08 5 0.5464392E-08 6 0.5656488E-08 7 0.6941390E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3208888E-08 1 0.4789701E-07 2 0.2043844E-07 3 0.6159440E-07 4 0.7100407E-07 5 0.9244112E-08 6 0.3018225E-07 7 0.9094113E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.9042295E-15 1 0.2325139E-06 2 0.8146632E-06 3 0.1917347E-05 4 0.7128393E-06 5 0.8353277E-07 6 0.4423364E-07 7 0.4551424E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3912020E-13 1 0.1325637E-05 2 0.3057744E-04 3 0.6417113E-04 4 0.1123205E-04 5 0.4925876E-06 6 0.1587060E-06 7 0.2171363E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2244874E-06 1 0.4099390E-04 2 0.9470529E-03 3 0.1241054E-02 4 0.1866343E-03 5 0.4630829E-05 6 0.1133917E-06 7 0.3625619E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1424728E-12 1 0.7729318E-03 2 0.1637743E-01 3 0.1399120E-01 4 0.1709936E-02 5 0.3300370E-04 6 0.3459801E-06 7 0.3360870E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8611501E-14 1 0.3433665E-02 2 0.1149701E+00 3 0.7358318E-01 4 0.7512740E-02 5 0.1306726E-03 6 0.4392832E-06 7 0.1863585E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1492003E+00 1 0.6069277E-01 2 0.1362618E+00 3 0.9849293E-01 4 0.8196374E-02 5 0.1220080E-03 6 0.3281145E-06 7 0.7707664E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2211359E-13 1 0.4221068E-01 2 0.4371642E-01 3 0.1718646E+00 4 0.4947864E-01 5 0.1414070E-02 6 0.5335550E-05 7 0.4819992E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1802077E-15 1 0.3952997E-14 2 0.2478662E-12 3 0.1477566E-11 4 0.5618888E-14 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 0.4073956E-16 1 0.1136976E-12 2 0.8852410E-12 3 0.2093922E-11 4 0.2070054E-13 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 0.2465244E-17 1 0.9174459E-13 2 0.6093946E-12 3 0.4445013E-12 4 0.2057441E-14 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 0.4219649E-13 1 0.3210896E-13 2 0.1791328E-13 3 0.9236975E-13 4 0.1430168E-14 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 0.8632205E-16 1 0.1971903E-14 2 0.4034956E-12 3 0.7523671E-12 4 0.1640734E-13 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 0.6558399E-16 1 0.4244182E-13 2 0.1821944E-12 3 0.9304948E-12 4 0.5008759E-13 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 0.3633671E-13 1 0.1707467E-12 2 0.7304019E-12 3 0.1135966E-10 4 0.9872965E-13 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 0.4087729E-16 1 0.3370547E-11 2 0.4524486E-11 3 0.1328017E-09 4 0.2186557E-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 -1 0 0.5000952E-17 1 0.1309318E-11 2 0.8994672E-10 3 0.6445140E-09 4 0.1702080E-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 0.1004336E-09 1 0.3459097E-09 2 0.9489097E-09 3 0.2640208E-08 4 0.5393954E-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 0.6223566E-17 1 0.3027104E-09 2 0.2068067E-08 3 0.1359879E-07 4 0.1223055E-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 2 0 0.2751923E-16 1 0.3766828E-08 2 0.1528064E-08 3 0.3997125E-07 4 0.1238600E-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 3 0 0.1166284E-08 1 0.1697486E-08 2 0.5217365E-07 3 0.2194872E-06 4 0.2936753E-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 4 0 0.1099047E-15 1 0.9320617E-07 2 0.2610070E-06 3 0.5483295E-06 4 0.4377291E-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 5 0 0.4797969E-17 1 0.9256840E-07 2 0.5685036E-06 3 0.7926838E-06 4 0.5862351E-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 6 0 0.2047475E-05 1 0.2049780E-05 2 0.8021522E-06 3 0.4157386E-06 4 0.3828633E-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 7 0 0.2147475E-16 1 0.1118796E-05 2 0.1131522E-05 3 0.2158565E-05 4 0.1081609E-08 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 0.1197231E-15 1 0.9678659E-06 2 0.3662420E-06 3 0.1303233E-06 4 0.2049410E-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 9 0 0.1089895E-06 1 0.3392104E-06 2 0.2654725E-06 3 0.6777906E-06 4 0.1282759E-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 -1 0 0.6703547E-15 1 0.1573401E-09 2 0.4904759E-09 3 0.6910634E-09 4 0.3158652E-08 5 0.3792731E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.3446468E-08 1 0.6949800E-08 2 0.2346105E-08 3 0.3292641E-08 4 0.3871369E-08 5 0.8806772E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3253535E-14 1 0.3729386E-07 2 0.1605651E-07 3 0.1682972E-07 4 0.4248350E-07 5 0.1163738E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.6668859E-12 1 0.2080437E-11 2 0.8876132E-11 3 0.1600018E-09 4 0.8273817E-10 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 0.1184091E-15 1 0.1013844E-10 2 0.3258964E-10 3 0.1416839E-09 4 0.1610957E-10 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 0.4649720E-16 1 0.1724512E-08 2 0.1326923E-08 3 0.2085231E-08 4 0.1362987E-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 3 0 0 0.3469720E-09 1 0.4357535E-08 2 0.7932168E-08 3 0.2552720E-08 4 0.6029213E-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 3 1 0 0.9367692E-16 1 0.1589623E-08 2 0.1126407E-08 3 0.4461295E-08 4 0.1108914E-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 0.8368398E-17 1 0.5841106E-07 2 0.5217771E-07 3 0.6627551E-08 4 0.2929486E-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 0.6266459E-09 1 0.1286836E-07 2 0.5132015E-07 3 0.5399008E-07 4 0.4926632E-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 = 0.9979522 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.389173 average diffraction energy (ev) = 0.039621 the reaction probability = 0.2047808D-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 0.9982975E+00 0.4884538E-01 0.3887344E+00 1 0.1765298E-05 0.3503987E-01 0.8095750E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2856707E-05 0 26 1 0 0.4400982E-05 0 31 1 1 0.1638640E-04 0 13 3 -3 0.3349384E-06 0 17 3 -2 0.1837601E-05 0 22 3 -1 0.2529482E-05 0 27 3 0 0.9158308E-05 0 32 3 1 0.1083583E-04 0 36 3 2 0.5203487E-04 0 40 3 3 0.6834348E-04 0 7 5 -5 0.6011633E-08 0 10 5 -4 0.2946846E-07 0 14 5 -3 0.5298043E-07 0 18 5 -2 0.3450335E-06 0 23 5 -1 0.2247764E-05 0 28 5 0 0.1682922E-04 0 33 5 1 0.1001469E-03 0 37 5 2 0.3296547E-03 0 41 5 3 0.4374522E-03 0 44 5 4 0.9403652E-03 0 47 5 5 0.1645641E-02 0 3 7 -7 0.5983363E-10 0 5 7 -6 0.8201154E-10 0 8 7 -5 0.1215039E-09 0 11 7 -4 0.3914623E-09 0 15 7 -3 0.1010808E-08 0 19 7 -2 0.1095440E-07 0 24 7 -1 0.1164425E-06 0 29 7 0 0.1063374E-05 0 34 7 1 0.2977032E-04 0 38 7 2 0.6606449E-03 0 42 7 3 0.9477572E-02 0 45 7 4 0.7268973E-01 0 48 7 5 0.2213252E+00 0 50 7 6 0.2900300E+00 0 52 7 7 0.4003991E+00 0 1 9 -9 0.5803769E-11 0 2 9 -8 0.7687197E-11 0 4 9 -7 0.7484486E-11 0 6 9 -6 0.3884954E-11 0 9 9 -5 0.3096564E-11 0 12 9 -4 0.1468531E-10 0 16 9 -3 0.1016145E-09 0 20 9 -2 0.5148681E-09 0 25 9 -1 0.1635869E-08 0 30 9 0 0.5838827E-08 0 35 9 1 0.2043404E-07 0 39 9 2 0.1077263E-06 0 43 9 3 0.6419722E-06 0 46 9 4 0.9793247E-06 0 49 9 5 0.2166634E-05 0 51 9 6 0.2449444E-04 0 53 9 7 0.1077044E-04 0 54 9 8 0.1400954E-05 0 55 9 9 0.2120450E-05 1 21 1 -1 0.3348373E-07 1 26 1 0 0.1142598E-07 1 31 1 1 0.4326398E-06 1 13 3 -3 0.5114629E-09 1 17 3 -2 0.1204414E-08 1 22 3 -1 0.1194718E-07 1 27 3 0 0.2285708E-07 1 32 3 1 0.6785772E-07 1 36 3 2 0.3513707E-06 1 40 3 3 0.6339624E-06 1 7 5 -5 0.6794215E-12 1 10 5 -4 0.4135744E-12 1 14 5 -3 0.4463942E-11 1 18 5 -2 0.2320382E-09 1 23 5 -1 0.2161430E-08 1 28 5 0 0.2450098E-08 1 33 5 1 0.8615655E-09 1 37 5 2 0.3155528E-07 1 41 5 3 0.1134489E-07 1 44 5 4 0.5826563E-07 1 47 5 5 0.9116149E-07 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 0.1698059E-12 1 0.9738117E-07 2 0.4073237E-06 3 0.1052833E-05 4 0.8560018E-06 5 0.3027808E-06 6 0.4186185E-07 7 0.8062523E-07 8 0.1132852E-07 9 0.6570334E-08 v, j, mj = 0 1 0 0 0.6961157E-07 1 0.1829888E-06 2 0.8088240E-06 3 0.1698214E-05 4 0.1289598E-05 5 0.2316216E-06 6 0.9127642E-07 7 0.1789997E-07 8 0.7643312E-08 9 0.3304760E-08 v, j, mj = 0 1 1 0 0.7615557E-13 1 0.3194211E-06 2 0.2594782E-05 3 0.4852200E-05 4 0.4713677E-05 5 0.1961368E-05 6 0.1588825E-05 7 0.2768195E-06 8 0.7290408E-07 9 0.6400662E-08 v, j, mj = 0 3 -3 0 0.3979410E-08 1 0.5354613E-07 2 0.7309255E-07 3 0.1133229E-06 4 0.6067133E-07 5 0.9907211E-08 6 0.1067700E-07 7 0.2991794E-08 8 0.3050011E-08 9 0.3700103E-08 v, j, mj = 0 3 -2 0 0.8707578E-14 1 0.5978097E-06 2 0.2572814E-06 3 0.5950422E-06 4 0.3136649E-06 5 0.4026265E-07 6 0.2620787E-07 7 0.4746716E-08 8 0.1524354E-08 9 0.1060917E-08 v, j, mj = 0 3 -1 0 0.8817161E-14 1 0.3234287E-06 2 0.2488994E-06 3 0.1591426E-05 4 0.2629644E-06 5 0.5622335E-07 6 0.1711139E-07 7 0.2418867E-07 8 0.3331386E-08 9 0.1908913E-08 v, j, mj = 0 3 0 0 0.1166226E-05 1 0.2716933E-06 2 0.3750929E-05 3 0.3655449E-05 4 0.1612574E-06 5 0.7548271E-07 6 0.5422933E-07 7 0.1424671E-07 8 0.4210346E-08 9 0.4584291E-08 v, j, mj = 0 3 1 0 0.1971146E-13 1 0.9380142E-06 2 0.5570260E-05 3 0.2343125E-05 4 0.1218166E-05 5 0.4452753E-06 6 0.2559054E-06 7 0.5070596E-07 8 0.1045702E-07 9 0.3923017E-08 v, j, mj = 0 3 2 0 0.2882351E-12 1 0.7965486E-05 2 0.1570180E-04 3 0.1867837E-04 4 0.4410848E-05 5 0.3209676E-05 6 0.1745264E-05 7 0.3057355E-06 8 0.8950212E-08 9 0.8737168E-08 v, j, mj = 0 3 3 0 0.1812322E-07 1 0.2109514E-05 2 0.1020330E-04 3 0.1224349E-04 4 0.9002506E-05 5 0.1886021E-04 6 0.1268261E-04 7 0.3068094E-05 8 0.1210937E-06 9 0.3454751E-07 v, j, mj = 0 5 -5 0 0.4892464E-12 1 0.4269904E-09 2 0.1602320E-08 3 0.6464702E-09 4 0.1481194E-08 5 0.9371283E-09 6 0.4026936E-09 7 0.1802489E-09 8 0.2248811E-09 9 0.1092171E-09 v, j, mj = 0 5 -4 0 0.2562499E-14 1 0.1056791E-07 2 0.1334107E-07 3 0.1651093E-08 4 0.1855655E-08 5 0.6920745E-09 6 0.5771316E-09 7 0.3811617E-09 8 0.2642351E-09 9 0.1381252E-09 v, j, mj = 0 5 -3 0 0.2409941E-09 1 0.1006186E-07 2 0.8487569E-08 3 0.1321398E-07 4 0.1622582E-07 5 0.2034604E-08 6 0.1605413E-08 7 0.5876379E-09 8 0.3772512E-09 9 0.1452952E-09 v, j, mj = 0 5 -2 0 0.1453258E-13 1 0.4895726E-07 2 0.5146046E-07 3 0.1576011E-06 4 0.7794140E-07 5 0.4361397E-08 6 0.8805721E-09 7 0.1955908E-08 8 0.1625750E-08 9 0.2496284E-09 v, j, mj = 0 5 -1 0 0.3077849E-13 1 0.1458243E-07 2 0.1739482E-06 3 0.1618365E-05 4 0.3894766E-06 5 0.4022851E-07 6 0.4007200E-08 7 0.5126862E-08 8 0.1585417E-08 9 0.4428479E-09 v, j, mj = 0 5 0 0 0.3520696E-07 1 0.9441097E-07 2 0.3840853E-05 3 0.1041231E-04 4 0.2248906E-05 5 0.1693397E-06 6 0.1264629E-07 7 0.6781868E-08 8 0.6431444E-08 9 0.2338250E-08 v, j, mj = 0 5 1 0 0.9450943E-13 1 0.3665793E-07 2 0.4496697E-04 3 0.4636918E-04 4 0.8345108E-05 5 0.3473677E-06 6 0.4681088E-07 7 0.2395299E-07 8 0.8791494E-08 9 0.2013937E-08 v, j, mj = 0 5 2 0 0.1188664E-11 1 0.1496304E-04 2 0.1807576E-03 3 0.1166118E-03 4 0.1588927E-04 5 0.1114468E-05 6 0.2807587E-06 7 0.1422858E-07 8 0.1703341E-07 9 0.6463395E-08 v, j, mj = 0 5 3 0 0.3493082E-06 1 0.9399833E-04 2 0.1674006E-03 3 0.1466614E-03 4 0.2226693E-04 5 0.5600122E-05 6 0.9928917E-06 7 0.1283881E-06 8 0.4386830E-07 9 0.1039108E-07 v, j, mj = 0 5 4 0 0.1188798E-11 1 0.6073207E-03 2 0.1265651E-03 3 0.2814478E-04 4 0.1056267E-03 5 0.6186076E-04 6 0.1018529E-04 7 0.5904813E-06 8 0.5854920E-07 9 0.1294821E-07 v, j, mj = 0 5 5 0 0.1131237E-12 1 0.4404589E-05 2 0.5611390E-03 3 0.1274393E-03 4 0.3611456E-03 5 0.5135478E-03 6 0.7618878E-04 7 0.1679331E-05 8 0.9332267E-07 9 0.3606704E-08 v, j, mj = 0 7 -7 0 0.1279994E-12 1 0.2904148E-11 2 0.3568193E-11 3 0.8343714E-11 4 0.3789844E-11 5 0.5948765E-11 6 0.1395438E-10 7 0.2119659E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2050633E-11 1 0.7282078E-12 2 0.7131832E-11 3 0.1207295E-10 4 0.2456453E-11 5 0.1365512E-10 6 0.2558037E-10 7 0.1833598E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.7562890E-13 1 0.4882657E-11 2 0.3379213E-10 3 0.2048894E-10 4 0.5608876E-11 5 0.1129338E-10 6 0.3066171E-10 7 0.1470061E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.9604497E-15 1 0.1002346E-09 2 0.8065476E-10 3 0.1039584E-10 4 0.4918872E-10 5 0.2333897E-10 6 0.8323108E-10 7 0.4441738E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.5819718E-11 1 0.5810335E-11 2 0.2696693E-10 3 0.2207203E-09 4 0.9404497E-10 5 0.1151656E-09 6 0.3725155E-09 7 0.1697646E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1984324E-14 1 0.1566292E-09 2 0.3771169E-08 3 0.2071956E-08 4 0.2097962E-08 5 0.1016303E-08 6 0.1001013E-08 7 0.8393631E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2325873E-14 1 0.3881048E-07 2 0.2082949E-07 3 0.2556577E-07 4 0.1727187E-07 5 0.3925344E-08 6 0.5235983E-08 7 0.4803606E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.3624406E-08 1 0.1304227E-06 2 0.7888298E-07 3 0.4917388E-06 4 0.3168095E-06 5 0.1627683E-07 6 0.1630933E-07 7 0.9309471E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1073903E-13 1 0.7777796E-06 2 0.5898455E-05 3 0.1727816E-04 4 0.5485548E-05 5 0.2773598E-06 6 0.3098609E-07 7 0.2202505E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.5293629E-12 1 0.2011967E-05 2 0.2084554E-03 3 0.3618269E-03 4 0.8391094E-04 5 0.4369705E-05 6 0.5329287E-07 7 0.1671549E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6772551E-07 1 0.2539533E-03 2 0.3661007E-02 3 0.4595653E-02 4 0.9273335E-03 5 0.3913409E-04 6 0.4130772E-06 7 0.1047434E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1103340E-11 1 0.3013420E-02 2 0.3125898E-01 3 0.3249248E-01 4 0.5702784E-02 5 0.2201430E-03 6 0.1901256E-05 7 0.1729196E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2908629E-13 1 0.3956712E-03 2 0.1033524E+00 3 0.1021227E+00 4 0.1487782E-01 5 0.5712152E-03 6 0.5408191E-05 7 0.6915465E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1011427E+00 1 0.7607795E-01 2 0.7774488E-01 3 0.2701174E-01 4 0.7413186E-02 5 0.6276673E-03 6 0.1172455E-04 7 0.1437077E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1135110E-12 1 0.4573307E-01 2 0.6288046E-01 3 0.1441409E+00 4 0.1352026E+00 5 0.1232029E-01 6 0.1217627E-03 7 0.9672324E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.6598122E-15 1 0.1124982E-13 2 0.2213399E-12 3 0.1507625E-11 4 0.3980945E-11 5 0.8194939E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1314685E-14 1 0.4512672E-13 2 0.1071358E-11 3 0.2155101E-11 4 0.4405073E-11 5 0.9222584E-14 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3898066E-16 1 0.3272643E-12 2 0.1140236E-11 3 0.1523995E-11 4 0.4473119E-11 5 0.1983252E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1220117E-13 1 0.8668378E-13 2 0.3012245E-12 3 0.3583332E-12 4 0.3077764E-11 5 0.4874754E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.9297318E-16 1 0.1970252E-12 2 0.8898102E-12 3 0.8333174E-12 4 0.1134342E-11 5 0.4197602E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.3107507E-16 1 0.8006458E-12 2 0.8528095E-12 3 0.1663356E-11 4 0.1111861E-10 5 0.2498527E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3767027E-14 1 0.4095740E-11 2 0.7927314E-11 3 0.2041971E-10 4 0.6812516E-10 5 0.1042816E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.6407005E-17 1 0.6154704E-11 2 0.3558650E-10 3 0.1881229E-09 4 0.2801399E-09 5 0.4864093E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.5132261E-17 1 0.1175241E-09 2 0.2701331E-09 3 0.5690497E-09 4 0.6733375E-09 5 0.5824535E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.2122385E-10 1 0.7726409E-09 2 0.2099433E-09 3 0.1134545E-08 4 0.3651473E-08 5 0.4900170E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.4869388E-17 1 0.4663405E-09 2 0.2036514E-08 3 0.5073643E-08 4 0.1280713E-07 5 0.5040935E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2006414E-15 1 0.4176326E-08 2 0.1388172E-07 3 0.4784419E-07 4 0.4151742E-07 5 0.3066305E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1990432E-08 1 0.1071985E-07 2 0.3155244E-06 3 0.1299617E-06 4 0.1834089E-06 5 0.3668906E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1782854E-15 1 0.8383677E-07 2 0.3551121E-06 3 0.4415211E-06 4 0.9803064E-07 5 0.8241671E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.2904243E-17 1 0.1049179E-05 2 0.5367403E-06 3 0.4684978E-06 4 0.1115762E-06 5 0.6404786E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.7488312E-05 1 0.1438630E-04 2 0.2142421E-05 3 0.3159758E-06 4 0.1597905E-06 5 0.1636637E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.2006609E-15 1 0.6872226E-05 2 0.3048522E-05 3 0.5580843E-06 4 0.2908348E-06 5 0.7725225E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1170643E-14 1 0.7204075E-06 2 0.9790237E-07 3 0.3091804E-06 4 0.2710149E-06 5 0.2448900E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1756014E-06 1 0.6187257E-06 2 0.6349760E-06 3 0.3265505E-06 4 0.3617438E-06 5 0.2853031E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.3871776E-14 1 0.1335501E-07 2 0.1264252E-07 3 0.1957301E-08 4 0.1497153E-08 5 0.3790220E-08 6 0.2415281E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.5978880E-09 1 0.3680189E-08 2 0.1070787E-08 3 0.1250554E-08 4 0.2278481E-08 5 0.2230102E-08 6 0.3179778E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1408933E-13 1 0.7564553E-07 2 0.2172944E-06 3 0.8275124E-07 4 0.3251307E-07 5 0.2329376E-07 6 0.1141848E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2295131E-11 1 0.5111011E-11 2 0.3366815E-11 3 0.4105353E-10 4 0.2526652E-09 5 0.2069712E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.6892527E-15 1 0.7686778E-10 2 0.2731207E-09 3 0.1861261E-09 4 0.5608595E-09 5 0.1074392E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.6277756E-15 1 0.2381550E-08 2 0.6151276E-08 3 0.1784064E-08 4 0.1334604E-08 5 0.2956867E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.4491696E-08 1 0.1078459E-07 2 0.1931080E-08 3 0.4110168E-08 4 0.9291281E-09 5 0.6104173E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2289177E-14 1 0.2751456E-07 2 0.1362361E-07 3 0.2071697E-07 4 0.5413468E-08 5 0.5891057E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.9920792E-14 1 0.1585394E-06 2 0.1333649E-06 3 0.2445724E-07 4 0.3171675E-07 5 0.3292421E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1951615E-07 1 0.2490416E-06 2 0.1948749E-06 3 0.7217605E-07 4 0.9368996E-07 5 0.4663658E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.4484638E-16 1 0.5941584E-13 2 0.5728915E-12 3 0.4706937E-13 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 0.1948870E-16 1 0.7956257E-13 2 0.3073802E-12 3 0.2661213E-13 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 0.1499036E-12 1 0.5719448E-12 2 0.3727413E-11 3 0.1468067E-13 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 0.2519383E-17 1 0.2814217E-10 2 0.2021501E-09 3 0.1745872E-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 -1 0 0.4085161E-17 1 0.8297030E-09 2 0.1325211E-08 3 0.6516075E-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 0 0 0.4004974E-10 1 0.2353660E-08 2 0.5504256E-10 3 0.1345871E-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 1 0 0.1574394E-16 1 0.5114887E-09 2 0.3455645E-09 3 0.4512268E-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 2 0 0.1388233E-16 1 0.2988214E-07 2 0.1642776E-08 3 0.3036350E-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 3 0 0.5991257E-09 1 0.2783508E-08 2 0.7810387E-08 3 0.1518705E-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 4 0 0.3056424E-16 1 0.1939211E-07 2 0.3846276E-07 3 0.4107686E-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 5 0 0.1492153E-17 1 0.6406848E-07 2 0.2612626E-07 3 0.9667425E-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 sum of the probabilities = 0.9982992 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.388734 average diffraction energy (ev) = 0.048845 the reaction probability = 0.1700754D-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 0.9987955E+00 0.5449699E-01 0.3874695E+00 1 0.1403019E-04 0.3741309E-01 0.9359612E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2838458E-04 0 26 1 0 0.2113397E-04 0 31 1 1 0.1055942E-03 0 13 3 -3 0.1759869E-04 0 17 3 -2 0.1467883E-04 0 22 3 -1 0.2105518E-04 0 27 3 0 0.5020055E-04 0 32 3 1 0.4990846E-04 0 36 3 2 0.2172649E-03 0 40 3 3 0.3688790E-03 0 7 5 -5 0.1371621E-05 0 10 5 -4 0.9991494E-06 0 14 5 -3 0.9943483E-06 0 18 5 -2 0.3450434E-05 0 23 5 -1 0.1698242E-04 0 28 5 0 0.9567530E-04 0 33 5 1 0.4143150E-03 0 37 5 2 0.9713047E-03 0 41 5 3 0.8998356E-03 0 44 5 4 0.2584150E-02 0 47 5 5 0.4474768E-02 0 3 7 -7 0.3210725E-08 0 5 7 -6 0.4619531E-08 0 8 7 -5 0.1878180E-08 0 11 7 -4 0.3275410E-08 0 15 7 -3 0.6519077E-08 0 19 7 -2 0.7101661E-07 0 24 7 -1 0.6814472E-06 0 29 7 0 0.1059673E-04 0 34 7 1 0.2196143E-03 0 38 7 2 0.3210050E-02 0 42 7 3 0.2798980E-01 0 45 7 4 0.1192609E+00 0 48 7 5 0.1772973E+00 0 50 7 6 0.2415752E+00 0 52 7 7 0.4187162E+00 0 1 9 -9 0.1019506E-10 0 2 9 -8 0.1460975E-10 0 4 9 -7 0.2355610E-10 0 6 9 -6 0.1698706E-10 0 9 9 -5 0.2458293E-10 0 12 9 -4 0.8366968E-10 0 16 9 -3 0.3911571E-09 0 20 9 -2 0.1972869E-08 0 25 9 -1 0.5945072E-08 0 30 9 0 0.2552876E-07 0 35 9 1 0.9931077E-07 0 39 9 2 0.5900338E-06 0 43 9 3 0.2942076E-05 0 46 9 4 0.2667787E-05 0 49 9 5 0.2595235E-04 0 51 9 6 0.8487560E-04 0 53 9 7 0.3204166E-04 0 54 9 8 0.3750318E-05 0 55 9 9 0.3538754E-05 1 21 1 -1 0.1013861E-06 1 26 1 0 0.2044926E-06 1 31 1 1 0.1430977E-05 1 13 3 -3 0.1390992E-08 1 17 3 -2 0.2111604E-08 1 22 3 -1 0.1583909E-07 1 27 3 0 0.9956322E-07 1 32 3 1 0.2920644E-06 1 36 3 2 0.1151926E-05 1 40 3 3 0.8921392E-05 1 7 5 -5 0.1980558E-10 1 10 5 -4 0.7443042E-11 1 14 5 -3 0.2015141E-10 1 18 5 -2 0.1035968E-08 1 23 5 -1 0.2798634E-08 1 28 5 0 0.2086776E-08 1 33 5 1 0.6299937E-08 1 37 5 2 0.6206530E-07 1 41 5 3 0.8006088E-07 1 44 5 4 0.3478056E-06 1 47 5 5 0.1306845E-05 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 0.1188610E-11 1 0.6117102E-07 2 0.1030527E-05 3 0.3572210E-05 4 0.8688319E-05 5 0.9555569E-05 6 0.4200618E-05 7 0.1155668E-05 8 0.1125355E-06 9 0.7958829E-08 v, j, mj = 0 1 0 0 0.1015774E-06 1 0.1094363E-05 2 0.2668419E-05 3 0.3041013E-05 4 0.6969003E-05 5 0.4789214E-05 6 0.2132826E-05 7 0.3089787E-06 8 0.2711867E-07 9 0.1457598E-08 v, j, mj = 0 1 1 0 0.1422157E-12 1 0.8155522E-06 2 0.2843077E-05 3 0.9583215E-05 4 0.2703837E-04 5 0.3463616E-04 6 0.2339716E-04 7 0.6313524E-05 8 0.9399895E-06 9 0.2719547E-07 v, j, mj = 0 3 -3 0 0.1397684E-07 1 0.1356787E-05 2 0.1441992E-05 3 0.5562022E-05 4 0.5323695E-05 5 0.2761328E-05 6 0.9775937E-06 7 0.1528079E-06 8 0.6536866E-08 9 0.1955091E-08 v, j, mj = 0 3 -2 0 0.3065693E-12 1 0.4897789E-05 2 0.2496470E-05 3 0.3934106E-05 4 0.2500207E-05 5 0.7597363E-06 6 0.6626057E-07 7 0.2016965E-07 8 0.3206048E-08 9 0.8892989E-09 v, j, mj = 0 3 -1 0 0.3778044E-13 1 0.1508117E-05 2 0.3185300E-05 3 0.1180382E-04 4 0.2931240E-05 5 0.1261529E-05 6 0.2285502E-06 7 0.1272404E-06 8 0.7326626E-08 9 0.2053739E-08 v, j, mj = 0 3 0 0 0.7883546E-05 1 0.2412854E-05 2 0.2264053E-04 3 0.1308090E-04 4 0.2715760E-05 5 0.5388176E-06 6 0.7434489E-06 7 0.1574242E-06 8 0.2541826E-07 9 0.1851502E-08 v, j, mj = 0 3 1 0 0.4890601E-12 1 0.1269752E-05 2 0.2482366E-04 3 0.6921294E-05 4 0.1034057E-04 5 0.3787348E-05 6 0.2094405E-05 7 0.5749500E-06 8 0.8992246E-07 9 0.6553570E-08 v, j, mj = 0 3 2 0 0.4839711E-12 1 0.2365516E-04 2 0.4356538E-04 3 0.6379529E-04 4 0.2054588E-04 5 0.3627831E-04 6 0.2507131E-04 7 0.4264603E-05 8 0.8000426E-07 9 0.8982284E-08 v, j, mj = 0 3 3 0 0.1470057E-06 1 0.4166705E-05 2 0.1476347E-04 3 0.1264142E-04 4 0.4912302E-04 5 0.1178216E-03 6 0.1280052E-03 7 0.4031906E-04 8 0.1854463E-05 9 0.3713783E-07 v, j, mj = 0 5 -5 0 0.1303555E-11 1 0.2706736E-07 2 0.4563458E-06 3 0.3604146E-06 4 0.3349946E-06 5 0.1591263E-06 6 0.3122300E-07 7 0.2011649E-08 8 0.2088403E-09 9 0.2276241E-09 v, j, mj = 0 5 -4 0 0.3587620E-13 1 0.1984947E-06 2 0.2611087E-06 3 0.3008717E-06 4 0.1742307E-06 5 0.5320974E-07 6 0.9743095E-08 7 0.9066032E-09 8 0.3373808E-09 9 0.2467165E-09 v, j, mj = 0 5 -3 0 0.7840169E-09 1 0.1882582E-06 2 0.1600390E-06 3 0.3452792E-06 4 0.2668339E-06 5 0.1914453E-07 6 0.1213153E-07 7 0.1121800E-08 8 0.5234342E-09 9 0.2326991E-09 v, j, mj = 0 5 -2 0 0.1177563E-13 1 0.7479747E-06 2 0.2863869E-06 3 0.1597634E-05 4 0.8024757E-06 5 0.9672611E-08 6 0.2036738E-08 7 0.2292868E-08 8 0.1565720E-08 9 0.3952098E-09 v, j, mj = 0 5 -1 0 0.3529498E-13 1 0.7630646E-07 2 0.1774234E-05 3 0.1271988E-04 4 0.2284493E-05 5 0.1148218E-06 6 0.4322733E-08 7 0.4689143E-08 8 0.2599345E-08 9 0.1074773E-08 v, j, mj = 0 5 0 0 0.1460339E-05 1 0.9375053E-06 2 0.2867407E-04 3 0.5959237E-04 4 0.4653844E-05 5 0.3026512E-06 6 0.3528790E-07 7 0.1118957E-07 8 0.5955069E-08 9 0.2092919E-08 v, j, mj = 0 5 1 0 0.3749020E-12 1 0.2354655E-05 2 0.2403693E-03 3 0.1548535E-03 4 0.1504996E-04 5 0.1354609E-05 6 0.2854334E-06 7 0.1912673E-07 8 0.2134260E-07 9 0.7147798E-08 v, j, mj = 0 5 2 0 0.3839456E-11 1 0.9117057E-04 2 0.6337283E-03 3 0.1900666E-03 4 0.3907016E-04 5 0.1438773E-04 6 0.2717862E-05 7 0.1404253E-06 8 0.1265394E-07 9 0.1035987E-07 v, j, mj = 0 5 3 0 0.8763138E-06 1 0.2412340E-03 2 0.1990426E-03 3 0.2800350E-03 4 0.8931930E-04 5 0.7361788E-04 6 0.1470397E-04 7 0.9518583E-06 8 0.4091687E-07 9 0.1382287E-07 v, j, mj = 0 5 4 0 0.2596883E-11 1 0.1024849E-02 2 0.5685890E-03 3 0.1884784E-03 4 0.2537865E-03 5 0.4427143E-03 6 0.1001984E-03 7 0.5350757E-05 8 0.1681026E-06 9 0.1535200E-07 v, j, mj = 0 5 5 0 0.5594399E-12 1 0.1042536E-03 2 0.6943337E-03 3 0.2213116E-03 4 0.7737067E-03 5 0.2027254E-02 6 0.6246021E-03 7 0.2898396E-04 8 0.3044303E-06 9 0.1801217E-07 v, j, mj = 0 7 -7 0 0.4549123E-12 1 0.1138649E-09 2 0.6458808E-09 3 0.1253047E-08 4 0.9338164E-09 5 0.1963864E-09 6 0.1766811E-10 7 0.2481277E-10 8 0.2479423E-10 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4065121E-09 1 0.4323582E-09 2 0.1203041E-08 3 0.1625527E-08 4 0.6599428E-09 5 0.1906458E-09 6 0.4764871E-10 7 0.2803273E-10 8 0.2582293E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1822322E-12 1 0.6671193E-10 2 0.1304200E-08 3 0.7973009E-10 4 0.2180874E-09 5 0.5049153E-10 6 0.7870244E-10 7 0.4815633E-10 8 0.3191728E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2064176E-14 1 0.1521609E-08 2 0.1024131E-08 3 0.1409920E-09 4 0.8539638E-10 5 0.2177456E-09 6 0.6279591E-10 7 0.1640993E-09 8 0.5863830E-10 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1985203E-10 1 0.8033314E-10 2 0.8678525E-09 3 0.3123251E-08 4 0.1006118E-08 5 0.4285724E-09 6 0.4745859E-09 7 0.3916628E-09 8 0.1268485E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1557451E-13 1 0.5731575E-09 2 0.3118549E-07 3 0.2431184E-07 4 0.9949591E-08 5 0.2394108E-08 6 0.1328556E-08 7 0.9571140E-09 8 0.3167372E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1316973E-13 1 0.1182519E-06 2 0.1360565E-06 3 0.2674347E-06 4 0.1380148E-06 5 0.8354729E-08 6 0.4382285E-08 7 0.6428692E-08 8 0.2523501E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2570809E-07 1 0.3760880E-06 2 0.1206974E-05 3 0.6481323E-05 4 0.2377273E-05 5 0.1096581E-06 6 0.1076122E-07 7 0.6728560E-08 8 0.2211675E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1011055E-12 1 0.4288301E-05 2 0.5102242E-04 3 0.1288856E-03 4 0.3344435E-04 5 0.1905108E-05 6 0.3233145E-07 7 0.3068542E-07 8 0.5490475E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4276302E-11 1 0.1869130E-04 2 0.1232508E-02 3 0.1575426E-02 4 0.3614631E-03 5 0.2158465E-04 6 0.3498631E-06 7 0.2098897E-07 8 0.6424989E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.6941101E-06 1 0.1171817E-02 2 0.1203923E-01 3 0.1213027E-01 4 0.2493795E-02 5 0.1514524E-03 6 0.2489770E-05 7 0.4938369E-07 8 0.3719872E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.4320773E-11 1 0.7295858E-02 2 0.5226336E-01 3 0.4960340E-01 4 0.9496374E-02 5 0.5899825E-03 6 0.1179694E-04 7 0.8831323E-07 8 0.3335974E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.3429616E-13 1 0.4923130E-02 2 0.7833956E-01 3 0.7992586E-01 4 0.1309153E-01 5 0.9837029E-03 6 0.3335772E-04 7 0.1721340E-06 8 0.8727251E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6584404E-01 1 0.5953441E-01 2 0.8103770E-01 3 0.1807078E-01 4 0.1275710E-01 5 0.4179654E-02 6 0.1508562E-03 7 0.6666881E-06 8 0.8667240E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.4556468E-12 1 0.6375527E-01 2 0.9329747E-01 3 0.6640977E-01 4 0.1536730E+00 5 0.4038735E-01 6 0.1189290E-02 7 0.4120851E-05 8 0.1098612E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.6956154E-13 1 0.1903659E-12 2 0.8173904E-12 3 0.3896422E-12 4 0.2568449E-11 5 0.6159653E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.3936519E-14 1 0.1702249E-12 2 0.4969933E-12 3 0.2403260E-11 4 0.2854490E-11 5 0.8680842E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1885220E-14 1 0.1234543E-11 2 0.1555882E-11 3 0.2341188E-11 4 0.4322957E-11 5 0.1409964E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.7079957E-12 1 0.2437071E-12 2 0.1750677E-11 3 0.2478740E-11 4 0.4086974E-11 5 0.7718968E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.8643677E-15 1 0.1338149E-11 2 0.1041280E-10 3 0.3923715E-11 4 0.2911810E-11 5 0.5995588E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1044861E-16 1 0.1758159E-11 2 0.9411757E-11 3 0.1853404E-10 4 0.2923701E-10 5 0.2472870E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1184799E-11 1 0.3840229E-10 2 0.4979528E-10 3 0.6225422E-10 4 0.1342801E-09 5 0.1052404E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1907928E-15 1 0.9826410E-10 2 0.1556183E-09 3 0.5759967E-09 4 0.4209164E-09 5 0.7220733E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2361202E-16 1 0.3016198E-09 2 0.4224890E-09 3 0.2065578E-08 4 0.1822530E-08 5 0.1332856E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1455602E-09 1 0.4173483E-09 2 0.3048416E-08 3 0.2385392E-08 4 0.1006427E-07 5 0.9467768E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.1314789E-15 1 0.3873216E-08 2 0.2099958E-07 3 0.3146753E-07 4 0.3701537E-07 5 0.5955070E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2187323E-14 1 0.1523727E-07 2 0.2482394E-06 3 0.2444541E-06 4 0.6313643E-07 5 0.1896663E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.9227474E-08 1 0.1806984E-06 2 0.1837938E-05 3 0.7594934E-06 4 0.9247383E-07 5 0.6224487E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.4110441E-14 1 0.2768211E-06 2 0.1053996E-05 3 0.1041390E-05 4 0.2619956E-06 5 0.3358376E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.2981825E-15 1 0.1709765E-04 2 0.8254132E-05 3 0.3481694E-06 4 0.1935408E-06 5 0.5885888E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1016027E-04 1 0.6057457E-04 2 0.1363199E-04 3 0.1830111E-06 4 0.2896968E-06 5 0.3606877E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.2229200E-14 1 0.1378619E-04 2 0.1407248E-04 3 0.3435936E-05 4 0.6675038E-06 5 0.7954800E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1244846E-12 1 0.2268929E-05 2 0.7615541E-06 3 0.3231995E-06 4 0.2315647E-06 5 0.1650708E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.8823159E-07 1 0.5504854E-06 2 0.1394243E-05 3 0.7307220E-06 4 0.6027737E-06 5 0.1722985E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2346628E-13 1 0.5716201E-07 2 0.2942582E-07 3 0.2436363E-08 4 0.1823372E-08 5 0.8481253E-08 6 0.2057218E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2515634E-07 1 0.5295119E-07 2 0.3904442E-07 3 0.7289160E-07 4 0.9694516E-08 5 0.3957997E-08 6 0.7965106E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.7831102E-13 1 0.3411240E-07 2 0.2183356E-06 3 0.8418764E-06 4 0.2704699E-06 5 0.6081146E-07 6 0.5371169E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.4563635E-11 1 0.2789556E-10 2 0.2041345E-09 3 0.1543720E-09 4 0.2156533E-09 5 0.7717552E-09 6 0.1261789E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.3449636E-14 1 0.3749175E-09 2 0.6762852E-09 3 0.3865606E-09 4 0.3789822E-09 5 0.2810532E-09 6 0.1380189E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1808797E-14 1 0.7921668E-08 2 0.1628626E-08 3 0.3902182E-08 4 0.8689609E-09 5 0.1427795E-08 6 0.8985892E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1045274E-07 1 0.1604724E-07 2 0.1355357E-07 3 0.5242449E-07 4 0.3871283E-08 5 0.3124900E-08 6 0.8899412E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2542275E-13 1 0.3367449E-07 2 0.9588977E-07 3 0.1210726E-06 4 0.3295465E-07 5 0.8065574E-08 6 0.4073314E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1398553E-12 1 0.7959412E-07 2 0.7480474E-06 3 0.2921542E-06 4 0.1220811E-07 5 0.1962137E-07 6 0.3009006E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.1496484E-07 1 0.1973853E-05 2 0.4596479E-05 3 0.2077584E-05 4 0.2429604E-06 5 0.1484982E-07 6 0.7004432E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.3810220E-15 1 0.2155165E-11 2 0.6250547E-11 3 0.9769188E-11 4 0.1630300E-11 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 0.1197040E-16 1 0.4395865E-12 2 0.2110163E-11 3 0.3924052E-11 4 0.9692277E-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 5 -3 0 0.2057243E-12 1 0.2946958E-11 2 0.6912039E-11 3 0.5523412E-11 4 0.4563276E-11 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 0.7525341E-17 1 0.2601637E-10 2 0.2966441E-09 3 0.6854624E-09 4 0.2784468E-10 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 0.1233666E-16 1 0.9679742E-10 2 0.1002454E-08 3 0.1640767E-08 4 0.5861508E-10 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 0.2396927E-10 1 0.4311288E-09 2 0.1225997E-08 3 0.3558799E-09 4 0.4980149E-10 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 0.1864989E-15 1 0.9594477E-09 2 0.2170262E-08 3 0.2994841E-08 4 0.1753862E-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 0.1233416E-14 1 0.3193106E-07 2 0.2252074E-07 3 0.6655355E-08 4 0.9581408E-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 0.3875311E-08 1 0.2992884E-08 2 0.1814107E-07 3 0.5366244E-07 4 0.1389169E-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 0.5880880E-16 1 0.2118155E-06 2 0.4458395E-07 3 0.9037363E-07 4 0.1032505E-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 5 0 0.1092354E-16 1 0.5043455E-06 2 0.6285691E-06 3 0.1722209E-06 4 0.1709951E-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 = 0.9988095 average vibrational energy (ev) = 0.000007 average rotational energy (ev) = 0.387465 average diffraction energy (ev) = 0.054497 the reaction probability = 0.1190451D-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 0.9866940E+00 0.5557513E-01 0.3837036E+00 1 0.1028146E-02 0.2338175E-01 0.2007492E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1919663E-03 0 26 1 0 0.1221273E-03 0 31 1 1 0.6101771E-03 0 13 3 -3 0.1262098E-03 0 17 3 -2 0.1382379E-03 0 22 3 -1 0.1009190E-03 0 27 3 0 0.2547062E-03 0 32 3 1 0.2566164E-03 0 36 3 2 0.9170140E-03 0 40 3 3 0.1865080E-02 0 7 5 -5 0.3583863E-04 0 10 5 -4 0.1827189E-04 0 14 5 -3 0.6359464E-05 0 18 5 -2 0.2734715E-04 0 23 5 -1 0.9325661E-04 0 28 5 0 0.4235452E-03 0 33 5 1 0.1310937E-02 0 37 5 2 0.2399418E-02 0 41 5 3 0.1973084E-02 0 44 5 4 0.6465490E-02 0 47 5 5 0.1143679E-01 0 3 7 -7 0.3970985E-06 0 5 7 -6 0.2163219E-06 0 8 7 -5 0.3392757E-07 0 11 7 -4 0.5835507E-07 0 15 7 -3 0.7515603E-07 0 19 7 -2 0.6835174E-06 0 24 7 -1 0.6180355E-05 0 29 7 0 0.8915254E-04 0 34 7 1 0.1187428E-02 0 38 7 2 0.1106119E-01 0 42 7 3 0.5908110E-01 0 45 7 4 0.1420242E+00 0 48 7 5 0.1303254E+00 0 50 7 6 0.2436284E+00 0 52 7 7 0.3699763E+00 0 1 9 -9 0.4226673E-10 0 2 9 -8 0.5148146E-10 0 4 9 -7 0.7258892E-10 0 6 9 -6 0.5338266E-10 0 9 9 -5 0.1186972E-09 0 12 9 -4 0.2724981E-09 0 16 9 -3 0.1295417E-08 0 20 9 -2 0.4041158E-08 0 25 9 -1 0.1690949E-07 0 30 9 0 0.6320362E-07 0 35 9 1 0.7730556E-06 0 39 9 2 0.5371392E-05 0 43 9 3 0.1278205E-04 0 46 9 4 0.2589838E-05 0 49 9 5 0.1666199E-03 0 51 9 6 0.1806615E-03 0 53 9 7 0.1342074E-03 0 54 9 8 0.2835273E-04 0 55 9 9 0.8336454E-05 1 21 1 -1 0.1301162E-05 1 26 1 0 0.7440940E-06 1 31 1 1 0.4103665E-05 1 13 3 -3 0.6385545E-07 1 17 3 -2 0.4401858E-07 1 22 3 -1 0.1805360E-06 1 27 3 0 0.5865322E-06 1 32 3 1 0.1532182E-05 1 36 3 2 0.9738459E-05 1 40 3 3 0.7437252E-04 1 7 5 -5 0.1826301E-09 1 10 5 -4 0.7043200E-10 1 14 5 -3 0.2592253E-09 1 18 5 -2 0.1140187E-08 1 23 5 -1 0.2960579E-08 1 28 5 0 0.7707826E-08 1 33 5 1 0.1780159E-07 1 37 5 2 0.1547667E-06 1 41 5 3 0.2388511E-05 1 44 5 4 0.6475768E-04 1 47 5 5 0.8681481E-03 1 3 7 -7 0.6047056E-17 1 5 7 -6 0.1558549E-13 1 8 7 -5 0.5799297E-18 1 11 7 -4 0.5530254E-17 1 15 7 -3 0.7692353E-13 1 19 7 -2 0.7723612E-17 1 24 7 -1 0.1640698E-18 1 29 7 0 0.3005774E-12 1 34 7 1 0.8957647E-18 1 38 7 2 0.2035689E-17 1 42 7 3 0.2536803E-10 1 45 7 4 0.1204515E-17 1 48 7 5 0.1166839E-17 1 50 7 6 0.1911963E-09 1 52 7 7 0.9215175E-17 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 0.7656936E-12 1 0.4710356E-06 2 0.8808723E-05 3 0.8133216E-05 4 0.3199045E-04 5 0.6608403E-04 6 0.5509793E-04 7 0.1888005E-04 8 0.2446070E-05 9 0.5475067E-07 v, j, mj = 0 1 0 0 0.5321448E-05 1 0.7331326E-05 2 0.2821959E-04 3 0.9886808E-05 4 0.1238539E-04 5 0.2885328E-04 6 0.2363125E-04 7 0.5945691E-05 8 0.5416779E-06 9 0.1083444E-07 v, j, mj = 0 1 1 0 0.5950882E-11 1 0.4670057E-05 2 0.3025113E-04 3 0.1981099E-04 4 0.5326842E-04 5 0.2016450E-03 6 0.2051315E-03 7 0.8004720E-04 8 0.1477395E-04 9 0.5788701E-06 v, j, mj = 0 3 -3 0 0.9339114E-08 1 0.2866253E-05 2 0.3775982E-05 3 0.2158067E-04 4 0.3813803E-04 5 0.3649744E-04 6 0.1860512E-04 7 0.4460039E-05 8 0.2719145E-06 9 0.5004583E-08 v, j, mj = 0 3 -2 0 0.5371433E-11 1 0.5363201E-04 2 0.3355351E-04 3 0.3080677E-04 4 0.8925638E-05 5 0.8037018E-05 6 0.2721772E-05 7 0.5216320E-06 8 0.3766452E-07 9 0.1905077E-08 v, j, mj = 0 3 -1 0 0.1053592E-11 1 0.5771771E-05 2 0.1830804E-04 3 0.4108262E-04 4 0.1695235E-04 5 0.1321673E-04 6 0.4014519E-05 7 0.1385377E-05 8 0.1846179E-06 9 0.3004468E-08 v, j, mj = 0 3 0 0 0.4230661E-04 1 0.1617313E-04 2 0.1156164E-03 3 0.4222078E-04 4 0.1854035E-04 5 0.6981532E-05 6 0.9372467E-05 7 0.3184162E-05 8 0.3029172E-06 9 0.7798630E-08 v, j, mj = 0 3 1 0 0.1272778E-11 1 0.8554745E-05 2 0.9933776E-04 3 0.5364373E-04 4 0.3996500E-04 5 0.2761405E-04 6 0.1880228E-04 7 0.7399689E-05 8 0.1249446E-05 9 0.4967950E-07 v, j, mj = 0 3 2 0 0.4767455E-11 1 0.4444729E-04 2 0.1970466E-03 3 0.2514096E-03 4 0.3292328E-04 5 0.1449640E-03 6 0.1859038E-03 7 0.5743180E-04 8 0.2870537E-05 9 0.1704578E-07 v, j, mj = 0 3 3 0 0.3107885E-06 1 0.3042458E-04 2 0.9072052E-04 3 0.5934158E-04 4 0.9690493E-04 5 0.4871890E-03 6 0.7172637E-03 7 0.3481349E-03 8 0.3437461E-04 9 0.4151184E-06 v, j, mj = 0 5 -5 0 0.1217367E-11 1 0.1019682E-06 2 0.5147822E-05 3 0.7196317E-05 4 0.1114783E-04 5 0.8705608E-05 6 0.3200372E-05 7 0.3336038E-06 8 0.4843274E-08 9 0.2586086E-09 v, j, mj = 0 5 -4 0 0.7883182E-12 1 0.6352335E-05 2 0.5003554E-05 3 0.2274520E-05 4 0.2633329E-05 5 0.1610361E-05 6 0.3783168E-06 7 0.1846412E-07 8 0.6409035E-09 9 0.3669224E-09 v, j, mj = 0 5 -3 0 0.1814380E-07 1 0.7311678E-06 2 0.6862228E-06 3 0.1837129E-05 4 0.2172858E-05 5 0.7026750E-06 6 0.1824919E-06 7 0.2700910E-07 8 0.1394378E-08 9 0.3722164E-09 v, j, mj = 0 5 -2 0 0.3090617E-12 1 0.6210879E-05 2 0.2533189E-05 3 0.1316320E-04 4 0.5068253E-05 5 0.3056514E-06 6 0.5145337E-07 7 0.1208986E-07 8 0.1143053E-08 9 0.1298645E-08 v, j, mj = 0 5 -1 0 0.1363382E-12 1 0.1921673E-05 2 0.1342994E-04 3 0.6831714E-04 4 0.8789297E-05 5 0.7259982E-06 6 0.5180681E-07 7 0.1618878E-07 8 0.2954058E-08 9 0.1607044E-08 v, j, mj = 0 5 0 0 0.1718368E-04 1 0.7199095E-05 2 0.1514758E-03 3 0.2425611E-03 4 0.3875904E-05 5 0.7476361E-06 6 0.3976033E-06 7 0.8685248E-07 8 0.1413519E-07 9 0.3340690E-08 v, j, mj = 0 5 1 0 0.1983199E-11 1 0.1165188E-04 2 0.9177397E-03 3 0.3440677E-03 4 0.2630402E-04 5 0.9287049E-05 6 0.1683332E-05 7 0.1725876E-06 8 0.2292172E-07 9 0.7716121E-08 v, j, mj = 0 5 2 0 0.1528709E-10 1 0.4059159E-03 2 0.1597028E-02 3 0.1763808E-03 4 0.1149437E-03 5 0.7943636E-04 6 0.2325207E-04 7 0.2425202E-05 8 0.2120006E-07 9 0.1472020E-07 v, j, mj = 0 5 3 0 0.1576193E-05 1 0.3616879E-03 2 0.4686025E-03 3 0.5507471E-03 4 0.1672422E-03 5 0.2859294E-03 6 0.1240013E-03 7 0.1305245E-04 8 0.2194848E-06 9 0.2514019E-07 v, j, mj = 0 5 4 0 0.9617188E-11 1 0.6778357E-03 2 0.2498231E-02 3 0.9455492E-03 4 0.1773963E-03 5 0.1447954E-02 6 0.6630802E-03 7 0.5434357E-04 8 0.1055961E-05 9 0.4400290E-07 v, j, mj = 0 5 5 0 0.3022257E-11 1 0.1791666E-03 2 0.1280637E-02 3 0.6134074E-03 4 0.1150103E-02 5 0.4909238E-02 6 0.2955761E-02 7 0.3428905E-03 8 0.5551541E-05 9 0.3514357E-07 v, j, mj = 0 7 -7 0 0.1008002E-11 1 0.1226344E-08 2 0.4766983E-07 3 0.1199156E-06 4 0.1560686E-06 5 0.6665156E-07 6 0.5472153E-08 7 0.4270936E-10 8 0.5067913E-10 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.9961602E-08 1 0.7108382E-09 2 0.1483473E-07 3 0.6433451E-07 4 0.8671226E-07 5 0.3669775E-07 6 0.2959403E-08 7 0.4909016E-10 8 0.6170393E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1815533E-12 1 0.2993457E-08 2 0.1962092E-07 3 0.4919266E-08 4 0.3728264E-08 5 0.1801068E-08 6 0.6112610E-09 7 0.1837585E-09 8 0.6939052E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.3111232E-13 1 0.3004030E-07 2 0.1845439E-07 3 0.3541608E-08 4 0.3847750E-08 5 0.1876395E-08 6 0.2794412E-09 7 0.1684659E-09 8 0.1466806E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.3665021E-09 1 0.1683894E-08 2 0.6555832E-08 3 0.4122847E-07 4 0.1956621E-07 5 0.3897606E-08 6 0.7409926E-09 7 0.7670386E-09 8 0.3494788E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.7122662E-13 1 0.7328602E-08 2 0.1461647E-06 3 0.3796931E-06 4 0.1380429E-06 5 0.8242047E-08 6 0.1846556E-08 7 0.1412750E-08 8 0.7867245E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1118211E-12 1 0.1451606E-06 2 0.9485668E-06 3 0.3664206E-05 4 0.1370633E-05 5 0.3545850E-07 6 0.6716204E-08 7 0.6859443E-08 8 0.2754593E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4280361E-06 1 0.1157206E-05 2 0.1419208E-04 3 0.5886751E-04 4 0.1390898E-04 5 0.5675926E-06 6 0.1250945E-07 7 0.1163318E-07 8 0.6999275E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.7567278E-12 1 0.2612340E-04 2 0.3573404E-03 3 0.6757264E-03 4 0.1215696E-03 5 0.6517214E-05 6 0.1147922E-06 7 0.2794505E-07 8 0.8169218E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2647482E-10 1 0.9610760E-04 2 0.5392873E-02 3 0.4671613E-02 4 0.8458163E-03 5 0.5333577E-04 6 0.1385140E-05 7 0.4134584E-07 8 0.1531173E-07 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.5036782E-05 1 0.4300051E-02 2 0.2979126E-01 3 0.2112724E-01 4 0.3580758E-02 5 0.2666721E-03 6 0.9899880E-05 7 0.1647665E-06 8 0.1395948E-07 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1174915E-10 1 0.1368922E-01 2 0.6960003E-01 3 0.5006232E-01 4 0.7902744E-02 5 0.7300240E-03 6 0.3922571E-04 7 0.6521311E-06 8 0.1019945E-07 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8831654E-13 1 0.9914861E-02 2 0.7061061E-01 3 0.4384824E-01 4 0.4247701E-02 5 0.1530379E-02 6 0.1709081E-03 7 0.2671217E-05 8 0.3973326E-07 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.4901346E-01 1 0.1788899E-01 2 0.9785702E-01 3 0.3298883E-01 4 0.2968923E-01 5 0.1514172E-01 6 0.1037838E-02 7 0.1122196E-04 8 0.4432691E-07 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.4187212E-11 1 0.9563628E-01 2 0.1036952E+00 3 0.2328902E-01 4 0.8388656E-01 5 0.5832031E-01 6 0.5099804E-02 7 0.4909132E-04 8 0.3642956E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.6362228E-12 1 0.6181830E-11 2 0.1002984E-10 3 0.1186635E-10 4 0.3286069E-11 5 0.4968626E-11 6 0.5297793E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.4452512E-15 1 0.1011054E-10 2 0.4651149E-11 3 0.5829073E-11 4 0.6924243E-11 5 0.1111510E-10 6 0.1285091E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.9918125E-14 1 0.7823831E-11 2 0.1439281E-10 3 0.1693384E-10 4 0.3720382E-11 5 0.1222679E-10 6 0.1748134E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.1914176E-11 1 0.3132945E-11 2 0.5104203E-11 3 0.6319414E-11 4 0.1397833E-10 5 0.6157482E-11 6 0.1677611E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.7009793E-14 1 0.1119655E-10 2 0.3030424E-10 3 0.3269948E-10 4 0.9219490E-11 5 0.1985960E-10 6 0.1541084E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.4006444E-16 1 0.5036471E-11 2 0.3319569E-10 3 0.1035800E-09 4 0.5298132E-10 5 0.5750976E-10 6 0.2019488E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1092939E-10 1 0.1049610E-09 2 0.2030160E-09 3 0.3307519E-09 4 0.2830691E-09 5 0.2674924E-09 6 0.9519689E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.2992873E-15 1 0.6056072E-09 2 0.5176257E-09 3 0.1676986E-08 4 0.3982701E-09 5 0.6230709E-09 6 0.2195977E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1709550E-15 1 0.9895088E-09 2 0.1481252E-08 3 0.6346151E-08 4 0.1601370E-08 5 0.5560695E-08 6 0.9305138E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3773453E-08 1 0.2458271E-08 2 0.1329709E-07 3 0.2568091E-07 4 0.6819129E-08 5 0.8068471E-08 6 0.3106305E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.9725812E-15 1 0.3572269E-07 2 0.2682637E-06 3 0.3617731E-06 4 0.6239217E-07 5 0.3705698E-07 6 0.7846952E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1955534E-13 1 0.9465896E-07 2 0.2777787E-05 3 0.2208149E-05 4 0.2343270E-06 5 0.4759621E-07 6 0.8874298E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2688226E-07 1 0.1083785E-05 2 0.7220519E-05 3 0.4088403E-05 4 0.2874746E-06 5 0.5880267E-07 6 0.1618250E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.2625810E-13 1 0.8360247E-06 2 0.7165023E-06 3 0.7379422E-06 4 0.2527768E-06 5 0.2648703E-07 6 0.2010532E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.5853824E-14 1 0.1125231E-03 2 0.5230646E-04 3 0.1526409E-05 4 0.1735257E-06 5 0.7115010E-07 6 0.1926214E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2866215E-04 1 0.1054018E-03 2 0.4157869E-04 3 0.3339726E-05 4 0.1353441E-05 5 0.2954884E-06 6 0.3027123E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.7815586E-14 1 0.3151439E-04 2 0.8219286E-04 3 0.1625065E-04 4 0.3996589E-05 5 0.2184141E-06 6 0.3451197E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.6744679E-12 1 0.1959938E-04 2 0.1807828E-05 3 0.5484458E-05 4 0.1118745E-05 5 0.2876951E-06 6 0.5461646E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.5127084E-07 1 0.4130486E-06 2 0.2961147E-05 3 0.3280109E-05 4 0.1308435E-05 5 0.2720832E-06 6 0.5036175E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.8984053E-13 1 0.7928585E-08 2 0.5846387E-07 3 0.5309593E-06 4 0.6362019E-06 5 0.6203345E-07 6 0.4738812E-08 7 0.8361263E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2042319E-07 1 0.4961390E-07 2 0.9112239E-07 3 0.3457499E-06 4 0.2256439E-06 5 0.8307408E-08 6 0.2353575E-08 7 0.8797303E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.5902833E-12 1 0.6437690E-07 2 0.1439612E-05 3 0.1477025E-05 4 0.8998455E-06 5 0.2072423E-06 6 0.1438524E-07 7 0.1177096E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1273106E-10 1 0.9665169E-10 2 0.1433917E-07 3 0.3827151E-07 4 0.9780070E-08 5 0.9753405E-09 6 0.3799781E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.3174302E-13 1 0.1062704E-08 2 0.1363975E-07 3 0.2434066E-07 4 0.3440624E-08 5 0.1252775E-08 6 0.2820331E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2572574E-13 1 0.1124045E-07 2 0.1309898E-07 3 0.9640884E-07 4 0.5651038E-07 5 0.1885248E-08 6 0.1392097E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1749148E-07 1 0.5459636E-07 2 0.8538076E-07 3 0.3044268E-06 4 0.1147196E-06 5 0.7721433E-08 6 0.2195674E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.3352045E-12 1 0.2870503E-07 2 0.7999093E-06 3 0.5347728E-06 4 0.1312294E-06 5 0.3396974E-07 6 0.3595761E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1562282E-11 1 0.4927854E-07 2 0.4545026E-05 3 0.4048806E-05 4 0.1034419E-05 5 0.5519006E-07 6 0.5737025E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.5958598E-07 1 0.8460070E-05 2 0.7184534E-05 3 0.4636032E-04 4 0.1188227E-04 5 0.4145534E-06 6 0.1119109E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.6061640E-13 1 0.4604815E-10 2 0.4108018E-10 3 0.2784555E-10 4 0.5710708E-10 5 0.1048853E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.2092672E-14 1 0.1560429E-10 2 0.1328775E-10 3 0.1429702E-10 4 0.2267715E-10 5 0.4563696E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.5010978E-11 1 0.1898084E-10 2 0.6622312E-10 3 0.1040377E-09 4 0.5579058E-10 5 0.9182110E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.8334518E-15 1 0.1393810E-09 2 0.4077351E-10 3 0.5036212E-09 4 0.4319131E-09 5 0.2449777E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.4511115E-15 1 0.4765554E-09 2 0.1210037E-08 3 0.8990505E-09 4 0.3452228E-09 5 0.2971315E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.9006416E-10 1 0.2185239E-08 2 0.1719462E-08 3 0.1964029E-08 4 0.1646026E-08 5 0.1030058E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.4356493E-14 1 0.2077107E-08 2 0.8465682E-08 3 0.4754209E-08 4 0.2418049E-08 5 0.8653624E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1768492E-13 1 0.1634272E-07 2 0.1079603E-06 3 0.1931546E-07 4 0.8825879E-08 5 0.2322348E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.6548639E-09 1 0.3490999E-06 2 0.1624536E-05 3 0.3844232E-06 4 0.2803972E-07 5 0.1758121E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.1994984E-12 1 0.1736454E-04 2 0.3929780E-04 3 0.7937967E-05 4 0.1553847E-06 5 0.1988037E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.1696615E-13 1 0.4388992E-03 2 0.3906482E-03 3 0.3807761E-04 4 0.5180736E-06 5 0.5132312E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.6047056E-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 -6 0 0.1558549E-13 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 0.5799297E-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 0.5530254E-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 0.7692353E-13 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 0.7723612E-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 -1 0 0.1640698E-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 0.3005774E-12 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 0.8957647E-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 2 0 0.2035689E-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 0.2536803E-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 0.1204515E-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 0.1166839E-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 6 0 0.1911963E-09 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 0.9215175E-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 sum of the probabilities = 0.9877222 average vibrational energy (ev) = 0.000530 average rotational energy (ev) = 0.383513 average diffraction energy (ev) = 0.055542 the reaction probability = 0.1227781D-01 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 102577.1096 (a) ... Propagating the wavefunction 100616.1044 (b) Setup time 1732.0206 Saving the wave function for rerun 43.5991 Calculating averages 5.1562 Calculating and saving BK-coeffs 16.2706 Asymptotic analysis 3.6347 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 102416.7855 (a) ... FFTs along X and Y 4467.2370 Kinetic energy operation along Z 31194.9710 Kinetic energy operation along r 21570.3566 Potential energy multiplication 11467.0737 Legengre transforms 25651.3284 Shifting the wavefunction 2060.2759 Kinetic energy multiplications (xy) 492.8156 Absorbing the wavefunction 518.7842 Projection formalism 16.6244 Operations on specular grid 0.1806 ----------------------------------------------------- Sum 97439.6475 (b) ... Potential initialisation time 0.0000 Potential setup time 1708.6893 FFTs along X 2322.9964 FFTs along Y 2144.2406 Time spent on FGH for asympwf 0.4268 Ending date and time: Sun Aug 11 14:04:03 CEST 2019