Starting date and time: Fri Aug 9 06:42:33 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 20190809 at 064233.741 *** * 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: v0j7mj1-0.15eV-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: 1 * 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: 1 * 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 = 1 ... *** 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 = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 142 iz = 143 iz = 145 iz = 149 iz = 153 iz = 157 iz = 161 iz = 147 iz = 151 iz = 155 iz = 159 iz = 146 iz = 150 iz = 154 iz = 158 iz = 162 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 = 0.17012628E+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 = 186 ******************************************************************************** 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 = 8944 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 10 * Maximum v in analysis: nviba = 2 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.51909677 0.10000000E+01 0.50000000E+02 0.99999999 17.27377086 1.51910328 0.99999998E+00 0.10000000E+03 0.99999997 17.14754172 1.51910988 0.99999995E+00 0.15000000E+03 0.99999996 17.02131258 1.51911097 0.99999979E+00 0.20000000E+03 0.99999994 16.89508344 1.51911064 0.99999852E+00 0.25000000E+03 0.99999993 16.76885430 1.51910928 0.99998982E+00 0.30000000E+03 0.99999991 16.64262516 1.51910374 0.99993928E+00 0.35000000E+03 0.99999990 16.51639602 1.51909728 0.99969720E+00 0.40000000E+03 0.99999989 16.39016687 1.51910212 0.99874786E+00 0.45000000E+03 0.99999987 16.26393773 1.51911063 0.99569670E+00 0.50000000E+03 0.99999986 16.13770858 1.51911134 0.98760718E+00 0.55000000E+03 0.99999984 16.01147941 1.51911033 0.96972254E+00 0.60000000E+03 0.99999983 15.88525016 1.51910874 0.93629614E+00 0.65000000E+03 0.99999982 15.75902072 1.51910394 0.88265990E+00 0.70000000E+03 0.99999980 15.63279086 1.51909801 0.80756267E+00 0.75000000E+03 0.99999979 15.50656013 1.51910108 0.71431857E+00 0.80000000E+03 0.99999977 15.38032789 1.51911102 0.61003002E+00 0.85000000E+03 0.99999976 15.25409318 1.51911191 0.50340984E+00 0.90000000E+03 0.99999974 15.12785481 1.51911005 0.40241934E+00 0.95000000E+03 0.99999973 15.00161134 1.51910821 0.31270928E+00 0.10000000E+04 0.99999972 14.87536121 1.51910400 0.23716175E+00 0.10500000E+04 0.99999970 14.74910281 1.51909869 0.17627132E+00 0.11000000E+04 0.99999969 14.62283452 1.51910060 0.12891002E+00 0.11500000E+04 0.99999967 14.49655481 1.51911059 0.93104762E-01 0.12000000E+04 0.99999966 14.37026219 1.51911326 0.66633374E-01 0.12500000E+04 0.99999964 14.24395526 1.51910962 0.47394712E-01 0.13000000E+04 0.99999963 14.11763263 1.51910835 0.33589145E-01 0.13500000E+04 0.99999962 13.99129292 1.51910496 0.23771128E-01 0.14000000E+04 0.99999960 13.86493462 1.51910121 0.16830006E-01 0.14500000E+04 0.99999959 13.73855613 1.51910403 0.11939071E-01 0.15000000E+04 0.99999957 13.61215563 1.51911588 0.84968626E-02 0.15500000E+04 0.99999956 13.48573102 1.51912406 0.60728900E-02 0.16000000E+04 0.99999954 13.35927992 1.51912436 0.43625363E-02 0.16500000E+04 0.99999953 13.23279958 1.51912950 0.31518925E-02 0.17000000E+04 0.99999952 13.10628684 1.51913573 0.22914451E-02 0.17500000E+04 0.99999950 12.97973816 1.51914368 0.16769328E-02 0.18000000E+04 0.99999949 12.85314959 1.51915928 0.12356811E-02 0.18500000E+04 0.99999947 12.72651678 1.51918596 0.91698039E-03 0.19000000E+04 0.99999946 12.59983503 1.51921302 0.68536700E-03 0.19500000E+04 0.99999944 12.47309932 1.51923272 0.51596029E-03 0.20000000E+04 0.99999943 12.34630437 1.51925697 0.39123498E-03 0.20500000E+04 0.99999942 12.21944467 1.51928681 0.29879169E-03 0.21000000E+04 0.99999940 12.09251453 1.51931731 0.22981300E-03 0.21500000E+04 0.99999939 11.96550813 1.51935611 0.17799611E-03 0.22000000E+04 0.99999937 11.83841953 1.51940455 0.13881049E-03 0.22500000E+04 0.99999936 11.71124270 1.51945475 0.10898058E-03 0.23000000E+04 0.99999935 11.58397155 1.51949674 0.86124802E-04 0.23500000E+04 0.99999933 11.45659991 1.51953941 0.68500126E-04 0.24000000E+04 0.99999932 11.32912156 1.51958942 0.54823702E-04 0.24500000E+04 0.99999930 11.20153024 1.51963862 0.44145520E-04 0.25000000E+04 0.99999929 11.07381963 1.51969374 0.35757867E-04 0.25500000E+04 0.99999927 10.94598341 1.51975722 0.29130448E-04 0.26000000E+04 0.99999926 10.81801526 1.51982245 0.23863622E-04 0.26500000E+04 0.99999925 10.68990892 1.51987919 0.19654262E-04 0.27000000E+04 0.99999923 10.56165825 1.51993382 0.16272061E-04 0.27500000E+04 0.99999922 10.43325729 1.51999645 0.13539868E-04 0.28000000E+04 0.99999920 10.30470040 1.52006035 0.11321408E-04 0.28500000E+04 0.99999919 10.17598231 1.52012749 0.95111149E-05 0.29000000E+04 0.99999917 10.04709836 1.52020484 0.80267780E-05 0.29500000E+04 0.99999916 9.91804461 1.52028449 0.68038227E-05 0.30000000E+04 0.99999915 9.78881805 1.52035912 0.57920705E-05 0.30500000E+04 0.99999913 9.65941688 1.52043108 0.49512416E-05 0.31000000E+04 0.99999912 9.52984073 1.52051391 0.42494994E-05 0.31500000E+04 0.99999910 9.40009102 1.52060450 0.36614207E-05 0.32000000E+04 0.99999909 9.27017122 1.52070022 0.31666285E-05 0.32500000E+04 0.99999907 9.14008732 1.52081177 0.27487202E-05 0.33000000E+04 0.99999906 9.00984818 1.52093386 0.23944170E-05 0.33500000E+04 0.99999904 8.87946599 1.52106014 0.20929049E-05 0.34000000E+04 0.99999903 8.74895678 1.52119386 0.18353469E-05 0.34500000E+04 0.99999901 8.61834096 1.52135004 0.16145271E-05 0.35000000E+04 0.99999900 8.48764382 1.52153254 0.14245630E-05 0.35500000E+04 0.99999899 8.35689615 1.52173829 0.12604095E-05 0.36000000E+04 0.99999897 8.22613489 1.52197898 0.11185675E-05 0.36500000E+04 0.99999895 8.09540368 1.52225843 0.99545296E-06 0.37000000E+04 0.99999894 7.96475359 1.52257052 0.88825575E-06 0.37500000E+04 0.99999892 7.83424370 1.52292317 0.79462266E-06 0.38000000E+04 0.99999891 7.70394179 1.52333192 0.71260177E-06 0.38500000E+04 0.99999889 7.57392494 1.52380952 0.64057542E-06 0.39000000E+04 0.99999887 7.44428008 1.52435372 0.57718771E-06 0.39500000E+04 0.99999886 7.31510455 1.52497494 0.52108013E-06 0.40000000E+04 0.99999883 7.18650654 1.52568303 0.47167943E-06 0.40500000E+04 0.99999881 7.05860543 1.52647188 0.42791641E-06 0.41000000E+04 0.99999878 6.93153208 1.52734534 0.38903667E-06 0.41500000E+04 0.99999874 6.80542892 1.52831520 0.35437294E-06 0.42000000E+04 0.99999869 6.68044998 1.52938951 0.32335453E-06 0.42500000E+04 0.99999862 6.55676069 1.53056203 0.29552909E-06 0.43000000E+04 0.99999853 6.43453761 1.53182682 0.27056232E-06 0.43500000E+04 0.99999839 6.31396789 1.53318421 0.24800140E-06 0.44000000E+04 0.99999821 6.19524869 1.53461828 0.22799223E-06 0.44500000E+04 0.99999795 6.07858634 1.53611240 0.21005380E-06 0.45000000E+04 0.99999760 5.96419543 1.53766196 0.19388826E-06 0.45500000E+04 0.99999713 5.85229765 1.53925737 0.17922648E-06 0.46000000E+04 0.99999652 5.74312055 1.54088057 0.16586642E-06 0.46500000E+04 0.99999572 5.63689607 1.54250822 0.15367437E-06 0.47000000E+04 0.99999469 5.53385898 1.54412673 0.14255711E-06 0.47500000E+04 0.99999340 5.43424514 1.54571667 0.13243197E-06 0.48000000E+04 0.99999180 5.33828970 1.54725506 0.12321498E-06 0.48500000E+04 0.99998984 5.24622512 1.54873152 0.11482415E-06 0.49000000E+04 0.99998747 5.15827920 1.55013863 0.10718266E-06 0.49500000E+04 0.99998465 5.07467301 1.55146264 0.10000807E-06 0.50000000E+04 0.99998132 4.99561894 1.55268620 0.93642902E-07 0.50500000E+04 0.99997746 4.92131873 1.55379609 0.87807796E-07 0.51000000E+04 0.99997304 4.85196170 1.55478105 0.82432684E-07 0.51500000E+04 0.99996803 4.78772311 1.55562501 0.77459810E-07 0.52000000E+04 0.99996242 4.72876265 1.55632118 0.72843487E-07 0.52500000E+04 0.99995623 4.67522315 1.55687128 0.68552903E-07 0.53000000E+04 0.99994947 4.62722942 1.55727594 0.64556232E-07 0.53500000E+04 0.99994218 4.58488739 1.55753556 0.60827094E-07 0.54000000E+04 0.99993442 4.54828340 1.55765238 0.57353394E-07 0.54500000E+04 0.99992625 4.51748385 1.55763109 0.54104454E-07 0.55000000E+04 0.99991776 4.49253506 1.55747181 0.51086440E-07 0.55500000E+04 0.99990903 4.47346347 1.55717584 0.48116528E-07 0.56000000E+04 0.99990016 4.46027602 1.55675065 0.45515044E-07 0.56500000E+04 0.99989126 4.45296077 1.55620493 0.43141979E-07 0.57000000E+04 0.99988242 4.45148766 1.55554843 0.40986721E-07 0.57500000E+04 0.99987375 4.45580942 1.55479402 0.38916388E-07 0.58000000E+04 0.99986532 4.46586251 1.55395624 0.37040865E-07 0.58500000E+04 0.99985722 4.48156819 1.55304672 0.35366859E-07 0.59000000E+04 0.99984952 4.50283369 1.55207291 0.33629039E-07 0.59500000E+04 0.99984225 4.52955333 1.55104294 0.32005015E-07 0.60000000E+04 0.99983545 4.56160975 1.54996442 0.30709626E-07 0.60500000E+04 0.99982914 4.59887512 1.54884496 0.29264031E-07 0.61000000E+04 0.99982332 4.64121236 1.54769473 0.27569517E-07 0.61500000E+04 0.99981797 4.68847630 1.54652568 0.26466264E-07 0.62000000E+04 0.99981308 4.74051485 1.54534821 0.25859606E-07 0.62500000E+04 0.99980862 4.79717018 1.54416856 0.24216332E-07 0.63000000E+04 0.99980455 4.85827979 1.54299105 0.22463910E-07 0.63500000E+04 0.99980085 4.92367764 1.54181928 0.22650656E-07 0.64000000E+04 0.99979747 4.99319509 1.54065709 0.23315467E-07 0.64500000E+04 0.99979439 5.06666193 1.53951088 0.21228166E-07 0.65000000E+04 0.99979159 5.14390719 1.53838875 0.19928966E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.65500000E+04 0.99978905 5.22476003 1.53729704 0.24798534E-07 0.66000000E+04 0.99978673 5.30905053 1.53623775 0.29720426E-07 0.66500000E+04 0.99978462 5.39661039 1.53520920 0.28896879E-07 0.67000000E+04 0.99978270 5.48727367 1.53420910 0.33372273E-07 0.67500000E+04 0.99978092 5.58087733 1.53323684 0.53590552E-07 0.68000000E+04 0.99977927 5.67726179 1.53229578 0.76817195E-07 0.68500000E+04 0.99977767 5.77627128 1.53139227 0.91660418E-07 0.69000000E+04 0.99977608 5.87775419 1.53053156 0.11756869E-06 0.69500000E+04 0.99977440 5.98156327 1.52971440 0.17457528E-06 0.70000000E+04 0.99977252 6.08755580 1.52893677 0.24489019E-06 0.70500000E+04 0.99977028 6.19559369 1.52819284 0.30351897E-06 0.71000000E+04 0.99976745 6.30554344 1.52747871 0.36418563E-06 0.71500000E+04 0.99976373 6.41727607 1.52679489 0.45366522E-06 0.72000000E+04 0.99975870 6.53066690 1.52614568 0.56016517E-06 0.72500000E+04 0.99975179 6.64559527 1.52553512 0.64672443E-06 0.73000000E+04 0.99974223 6.76194415 1.52496332 0.70194064E-06 0.73500000E+04 0.99972900 6.87959967 1.52442564 0.74367965E-06 0.74000000E+04 0.99971077 6.99845057 1.52391537 0.78088874E-06 0.74500000E+04 0.99968585 7.11838759 1.52342803 0.79873694E-06 0.75000000E+04 0.99965208 7.23930287 1.52296381 0.78022085E-06 0.75500000E+04 0.99960678 7.36108928 1.52252669 0.72650971E-06 0.76000000E+04 0.99954669 7.48363984 1.52212047 0.65625295E-06 0.76500000E+04 0.99946785 7.60684719 1.52174502 0.59264218E-06 0.77000000E+04 0.99936561 7.73060314 1.52139540 0.54833011E-06 0.77500000E+04 0.99923451 7.85479841 1.52106469 0.51823303E-06 0.78000000E+04 0.99906830 7.97932243 1.52074850 0.49243692E-06 0.78500000E+04 0.99885987 8.10406340 1.52044770 0.48463085E-06 0.79000000E+04 0.99860134 8.22890843 1.52016697 0.54738514E-06 0.79500000E+04 0.99828397 8.35374393 1.51991073 0.76010660E-06 0.80000000E+04 0.99789833 8.47845608 1.51967936 0.12327529E-05 0.80500000E+04 0.99743428 8.60293152 1.51946832 0.22007798E-05 0.81000000E+04 0.99688110 8.72705810 1.51927095 0.42184052E-05 0.81500000E+04 0.99622758 8.85072572 1.51908314 0.83482990E-05 0.82000000E+04 0.99546217 8.97382731 1.51890615 0.16264867E-04 0.82500000E+04 0.99457314 9.09625977 1.51874502 0.30369831E-04 0.83000000E+04 0.99354867 9.21792499 1.51860420 0.54117407E-04 0.83500000E+04 0.99237709 9.33873083 1.51848393 0.92556597E-04 0.84000000E+04 0.99104703 9.45859205 1.51837960 0.15279610E-03 0.84500000E+04 0.98954757 9.57743118 1.51828447 0.24407957E-03 0.85000000E+04 0.98786846 9.69517930 1.51819441 0.37756587E-03 0.85500000E+04 0.98600025 9.81177676 1.51811105 0.56624274E-03 0.86000000E+04 0.98393450 9.92717385 1.51803994 0.82521678E-03 0.86500000E+04 0.98166395 10.04133142 1.51798589 0.11720847E-02 0.87000000E+04 0.97918271 10.15422155 1.51794949 0.16268079E-02 0.87500000E+04 0.97648647 10.26582814 1.51792651 0.22108293E-02 0.88000000E+04 0.97357266 10.37614754 1.51791040 0.29458508E-02 0.88500000E+04 0.97044065 10.48518903 1.51789688 0.38529731E-02 0.89000000E+04 0.96709188 10.59297514 1.51788704 0.49524733E-02 0.89500000E+04 0.96352996 10.69954181 1.51788563 0.62638676E-02 0.90000000E+04 0.95976076 10.80493821 1.51789618 0.78054859E-02 0.90500000E+04 0.95579236 10.90922630 1.51791780 0.95931621E-02 0.91000000E+04 0.95163501 11.01248014 1.51794530 0.11638412E-01 0.91500000E+04 0.94730103 11.11478484 1.51797205 0.13946939E-01 0.92000000E+04 0.94280464 11.21623537 1.51799461 0.16518073E-01 0.92500000E+04 0.93816169 11.31693496 1.51801597 0.19345157E-01 0.93000000E+04 0.93338940 11.41699330 1.51804354 0.22416340E-01 0.93500000E+04 0.92850598 11.51652445 1.51808334 0.25715201E-01 0.94000000E+04 0.92353017 11.61564438 1.51813586 0.29221130E-01 0.94500000E+04 0.91848079 11.71446832 1.51819572 0.32909629E-01 0.95000000E+04 0.91337614 11.81310793 1.51825429 0.36752879E-01 0.95500000E+04 0.90823353 11.91166851 1.51830461 0.40720760E-01 0.96000000E+04 0.90306876 12.01024650 1.51834574 0.44782231E-01 0.96500000E+04 0.89789576 12.10892733 1.51838245 0.48906726E-01 0.97000000E+04 0.89272625 12.20778406 1.51842033 0.53065186E-01 0.97500000E+04 0.88756965 12.30687652 1.51846180 0.57230325E-01 0.98000000E+04 0.88243306 12.40625130 1.51850551 0.61376248E-01 0.98500000E+04 0.87732134 12.50594219 1.51854783 0.65477714E-01 0.99000000E+04 0.87223731 12.60597114 1.51858611 0.69509392E-01 0.99500000E+04 0.86718196 12.70634932 1.51862196 0.73445539E-01 0.10000000E+05 0.86215474 12.80707838 1.51866051 0.77260292E-01 0.10050000E+05 0.85715377 12.90815145 1.51870554 0.80928506E-01 0.10100000E+05 0.85217603 13.00955400 1.51875566 0.84426982E-01 0.10150000E+05 0.84721753 13.11126445 1.51880478 0.87735579E-01 0.10200000E+05 0.84227338 13.21325437 1.51884499 0.90837890E-01 0.10250000E+05 0.83733775 13.31548847 1.51887097 0.93721360E-01 0.10300000E+05 0.83240383 13.41792429 1.51888431 0.96376912E-01 0.10350000E+05 0.82746373 13.52051178 1.51889352 0.98798335E-01 0.10400000E+05 0.82250839 13.62319291 1.51890826 0.10098179E+00 0.10450000E+05 0.81752752 13.72590136 1.51893345 0.10292549E+00 0.10500000E+05 0.81250964 13.82856263 1.51896729 0.10462969E+00 0.10550000E+05 0.80744215 13.93109448 1.51900270 0.10609664E+00 0.10600000E+05 0.80231159 14.03340773 1.51903127 0.10733057E+00 0.10650000E+05 0.79710386 14.13540751 1.51904888 0.10833725E+00 0.10700000E+05 0.79180456 14.23699470 1.51905838 0.10912362E+00 0.10750000E+05 0.78639929 14.33806746 1.51906632 0.10969719E+00 0.10800000E+05 0.78087391 14.43852287 1.51907759 0.11006579E+00 0.10850000E+05 0.77521481 14.53825836 1.51909289 0.11023740E+00 0.10900000E+05 0.76940911 14.63717310 1.51910889 0.11022029E+00 0.10950000E+05 0.76344478 14.73516920 1.51912054 0.11002315E+00 0.11000000E+05 0.75731078 14.83215275 1.51912552 0.10965531E+00 0.11050000E+05 0.75099719 14.92803465 1.51912693 0.10912657E+00 0.11100000E+05 0.74449520 15.02273139 1.51913038 0.10844706E+00 0.11150000E+05 0.73779728 15.11616558 1.51913894 0.10762699E+00 0.11200000E+05 0.73089716 15.20826628 1.51915111 0.10667649E+00 0.11250000E+05 0.72378990 15.29896922 1.51916215 0.10560567E+00 0.11300000E+05 0.71647194 15.38821684 1.51916701 0.10442470E+00 0.11350000E+05 0.70894105 15.47595813 1.51916456 0.10314382E+00 0.11400000E+05 0.70119641 15.56214850 1.51915962 0.10177309E+00 0.11450000E+05 0.69323856 15.64674951 1.51915921 0.10032203E+00 0.11500000E+05 0.68506942 15.72972871 1.51916629 0.98799442E-01 0.11550000E+05 0.67669226 15.81105941 1.51917762 0.97213299E-01 0.11600000E+05 0.66811168 15.89072061 1.51918632 0.95570902E-01 0.11650000E+05 0.65933355 15.96869693 1.51918622 0.93879074E-01 0.11700000E+05 0.65036501 16.04497856 1.51917651 0.92144415E-01 0.11750000E+05 0.64121435 16.11956118 1.51916379 0.90373467E-01 0.11800000E+05 0.63189097 16.19244589 1.51915773 0.88572745E-01 0.11850000E+05 0.62240528 16.26363901 1.51916327 0.86748642E-01 0.11900000E+05 0.61276856 16.33315178 1.51917709 0.84907228E-01 0.11950000E+05 0.60299288 16.40100004 1.51919026 0.83053975E-01 0.12000000E+05 0.59309094 16.46720368 1.51919360 0.81193603E-01 0.12050000E+05 0.58307597 16.53178620 1.51918349 0.79330130E-01 0.12100000E+05 0.57296158 16.59477407 1.51916550 0.77467129E-01 0.12150000E+05 0.56276164 16.65619625 1.51915122 0.75608006E-01 0.12200000E+05 0.55249015 16.71608361 1.51914949 0.73756136E-01 0.12250000E+05 0.54216115 16.77446847 1.51916052 0.71914812E-01 0.12300000E+05 0.53178861 16.83138426 1.51917677 0.70087070E-01 0.12350000E+05 0.52138630 16.88686513 1.51918746 0.68275532E-01 0.12400000E+05 0.51096778 16.94094576 1.51918470 0.66482370E-01 0.12450000E+05 0.50054624 16.99366110 1.51916926 0.64709388E-01 0.12500000E+05 0.49013453 17.04504625 1.51915042 0.62958190E-01 0.12550000E+05 0.47974505 17.09513624 1.51913866 0.61230366E-01 0.12600000E+05 0.46938975 17.14396595 1.51913875 0.59527585E-01 0.12650000E+05 0.45908006 17.19156999 1.51914866 0.57851545E-01 0.12700000E+05 0.44882691 17.23798258 1.51916150 0.56203785E-01 0.12750000E+05 0.43864069 17.28323750 1.51916899 0.54585486E-01 0.12800000E+05 0.42853121 17.32736806 1.51916697 0.52997345E-01 0.12850000E+05 0.41850774 17.37040698 1.51915811 0.51439634E-01 0.12900000E+05 0.40857896 17.41238644 1.51914789 0.49912415E-01 0.12950000E+05 0.39875300 17.45333798 1.51913973 0.48415821E-01 0.13000000E+05 0.38903738 17.49329248 1.51913491 0.46950219E-01 0.13050000E+05 0.37943908 17.53228015 1.51913362 0.45516146E-01 0.13100000E+05 0.36996448 17.57033047 1.51913465 0.44114088E-01 0.13150000E+05 0.36061940 17.60747217 1.51913717 0.42744277E-01 0.13200000E+05 0.35140911 17.64373321 1.51914220 0.41406647E-01 0.13250000E+05 0.34233834 17.67914078 1.51914935 0.40100948E-01 0.13300000E+05 0.33341130 17.71372125 1.51915389 0.38826916E-01 0.13350000E+05 0.32463170 17.74750027 1.51915061 0.37584376E-01 0.13400000E+05 0.31600276 17.78050271 1.51913892 0.36373210E-01 0.13450000E+05 0.30752727 17.81275271 1.51912287 0.35193265E-01 0.13500000E+05 0.29920753 17.84427363 1.51910972 0.34044281E-01 0.13550000E+05 0.29104547 17.87508811 1.51910815 0.32925888E-01 0.13600000E+05 0.28304259 17.90521797 1.51912151 0.31837665E-01 0.13650000E+05 0.27520003 17.93468424 1.51914233 0.30779200E-01 0.13700000E+05 0.26751857 17.96350718 1.51915752 0.29750099E-01 0.13750000E+05 0.25999866 17.99170621 1.51915815 0.28749949E-01 0.13800000E+05 0.25264043 18.01929999 1.51914310 0.27778285E-01 0.13850000E+05 0.24544373 18.04630637 1.51911895 0.26834599E-01 0.13900000E+05 0.23840811 18.07274245 1.51909905 0.25918396E-01 0.13950000E+05 0.23153291 18.09862459 1.51909548 0.25029228E-01 0.14000000E+05 0.22481720 18.12396844 1.51910900 0.24166666E-01 0.14050000E+05 0.21825986 18.14878899 1.51913020 0.23330240E-01 0.14100000E+05 0.21185958 18.17310061 1.51914829 0.22519389E-01 0.14150000E+05 0.20561486 18.19691713 1.51915502 0.21733489E-01 0.14200000E+05 0.19952406 18.22025185 1.51914621 0.20971911E-01 0.14250000E+05 0.19358538 18.24311758 1.51912645 0.20234087E-01 0.14300000E+05 0.18779690 18.26552673 1.51910716 0.19519524E-01 0.14350000E+05 0.18215659 18.28749123 1.51909671 0.18827764E-01 0.14400000E+05 0.17666229 18.30902260 1.51909760 0.18158301E-01 0.14450000E+05 0.17131179 18.33013190 1.51911004 0.17510548E-01 0.14500000E+05 0.16610274 18.35082972 1.51912988 0.16883850E-01 0.14550000E+05 0.16103275 18.37112617 1.51914641 0.16277558E-01 0.14600000E+05 0.15609937 18.39103087 1.51915037 0.15691094E-01 0.14650000E+05 0.15130008 18.41055297 1.51914088 0.15123960E-01 0.14700000E+05 0.14663233 18.42970118 1.51912179 0.14575708E-01 0.14750000E+05 0.14209353 18.44848380 1.51910003 0.14045898E-01 0.14800000E+05 0.13768107 18.46690873 1.51908767 0.13534073E-01 0.14850000E+05 0.13339231 18.48498356 1.51909390 0.13039756E-01 0.14900000E+05 0.12922463 18.50271552 1.51911463 0.12562456E-01 0.14950000E+05 0.12517539 18.52011161 1.51913717 0.12101677E-01 0.15000000E+05 0.12124195 18.53717853 1.51915096 0.11656927E-01 0.15050000E+05 0.11742170 18.55392279 1.51914879 0.11227723E-01 0.15100000E+05 0.11371200 18.57035068 1.51912934 0.10813588E-01 0.15150000E+05 0.11011029 18.58646832 1.51910390 0.10414045E-01 0.15200000E+05 0.10661397 18.60228163 1.51908908 0.10028627E-01 0.15250000E+05 0.10322050 18.61779640 1.51909122 0.96568928E-02 0.15300000E+05 0.09992737 18.63301821 1.51910572 0.92984348E-02 0.15350000E+05 0.09673206 18.64795252 1.51912564 0.89528566E-02 0.15400000E+05 0.09363213 18.66260461 1.51914155 0.86197496E-02 0.15450000E+05 0.09062513 18.67697958 1.51914326 0.82986878E-02 0.15500000E+05 0.08770868 18.69108236 1.51913127 0.79892488E-02 0.15550000E+05 0.08488042 18.70491774 1.51911597 0.76910294E-02 0.15600000E+05 0.08213803 18.71849034 1.51910385 0.74036412E-02 0.15650000E+05 0.07947921 18.73180466 1.51909647 0.71267020E-02 0.15700000E+05 0.07690175 18.74486508 1.51909789 0.68598389E-02 0.15750000E+05 0.07440344 18.75767586 1.51910929 0.66027011E-02 0.15800000E+05 0.07198212 18.77024119 1.51912311 0.63549621E-02 0.15850000E+05 0.06963569 18.78256516 1.51913295 0.61163091E-02 0.15900000E+05 0.06736207 18.79465181 1.51913809 0.58864369E-02 0.15950000E+05 0.06515924 18.80650508 1.51913467 0.56650518E-02 0.16000000E+05 0.06302522 18.81812889 1.51911916 0.54518747E-02 0.16050000E+05 0.06095807 18.82952706 1.51909987 0.52466308E-02 0.16100000E+05 0.05895589 18.84070338 1.51908980 0.50490371E-02 0.16150000E+05 0.05701683 18.85166160 1.51909268 0.48588111E-02 0.16200000E+05 0.05513908 18.86240538 1.51910674 0.46756938E-02 0.16250000E+05 0.05332087 18.87293838 1.51912884 0.44994607E-02 0.16300000E+05 0.05156048 18.88326418 1.51914682 0.43299015E-02 0.16350000E+05 0.04985622 18.89338633 1.51914584 0.41667847E-02 0.16400000E+05 0.04820643 18.90330834 1.51912675 0.40098484E-02 0.16450000E+05 0.04660953 18.91303365 1.51910333 0.38588303E-02 0.16500000E+05 0.04506394 18.92256569 1.51908625 0.37135063E-02 0.16550000E+05 0.04356813 18.93190783 1.51908294 0.35736979E-02 0.16600000E+05 0.04212062 18.94106339 1.51909910 0.34392399E-02 0.16650000E+05 0.04071996 18.95003564 1.51912655 0.33099455E-02 0.16700000E+05 0.03936474 18.95882780 1.51914572 0.31856021E-02 0.16750000E+05 0.03805357 18.96744307 1.51914692 0.30659935E-02 0.16800000E+05 0.03678512 18.97588455 1.51913384 0.29509180E-02 0.16850000E+05 0.03555807 18.98415532 1.51911126 0.28401884E-02 0.16900000E+05 0.03437117 18.99225837 1.51908807 0.27336296E-02 0.16950000E+05 0.03322317 19.00019664 1.51908043 0.26310892E-02 0.17000000E+05 0.03211287 19.00797297 1.51909420 0.25324459E-02 0.17050000E+05 0.03103910 19.01559016 1.51911760 0.24375953E-02 0.17100000E+05 0.03000071 19.02305095 1.51913836 0.23464135E-02 0.17150000E+05 0.02899661 19.03035806 1.51914985 0.22587338E-02 0.17200000E+05 0.02802570 19.03751415 1.51914336 0.21743637E-02 0.17250000E+05 0.02708696 19.04452184 1.51911800 0.20931287E-02 0.17300000E+05 0.02617936 19.05138370 1.51909125 0.20149076E-02 0.17350000E+05 0.02530191 19.05810225 1.51908076 0.19396302E-02 0.17400000E+05 0.02445365 19.06467998 1.51908807 0.18672420E-02 0.17450000E+05 0.02363366 19.07111934 1.51910871 0.17976659E-02 0.17500000E+05 0.02284102 19.07742278 1.51913603 0.17307874E-02 0.17550000E+05 0.02207486 19.08359272 1.51915310 0.16664690E-02 0.17600000E+05 0.02133433 19.08963153 1.51914573 0.16045782E-02 0.17650000E+05 0.02061859 19.09554153 1.51912170 0.15450072E-02 0.17700000E+05 0.01992685 19.10132500 1.51909814 0.14876746E-02 0.17750000E+05 0.01925832 19.10698414 1.51908365 0.14325147E-02 0.17800000E+05 0.01861225 19.11252114 1.51908452 0.13794664E-02 0.17850000E+05 0.01798790 19.11793812 1.51910491 0.13284669E-02 0.17900000E+05 0.01738457 19.12323716 1.51913261 0.12794499E-02 0.17950000E+05 0.01680156 19.12842029 1.51914767 0.12323411E-02 0.18000000E+05 0.01623821 19.13348948 1.51914535 0.11870564E-02 0.18050000E+05 0.01569387 19.13844664 1.51913126 0.11435058E-02 0.18100000E+05 0.01516790 19.14329365 1.51910841 0.11016025E-02 0.18150000E+05 0.01465970 19.14803233 1.51908664 0.10612727E-02 0.18200000E+05 0.01416869 19.15266445 1.51908274 0.10224583E-02 0.18250000E+05 0.01369428 19.15719177 1.51909918 0.98511379E-03 0.18300000E+05 0.01323593 19.16161599 1.51912269 0.94919941E-03 0.18350000E+05 0.01279311 19.16593876 1.51914343 0.91467341E-03 0.18400000E+05 0.01236528 19.17016171 1.51915426 0.88148616E-03 0.18450000E+05 0.01195196 19.17428646 1.51914384 0.84957844E-03 0.18500000E+05 0.01155265 19.17831457 1.51911411 0.81888502E-03 0.18550000E+05 0.01116688 19.18224759 1.51908670 0.78934238E-03 0.18600000E+05 0.01079420 19.18608704 1.51907855 0.76089600E-03 0.18650000E+05 0.01043417 19.18983444 1.51909046 0.73350316E-03 0.18700000E+05 0.01008637 19.19349127 1.51911835 0.70713041E-03 0.18750000E+05 0.00975037 19.19705902 1.51915099 0.68174873E-03 0.18800000E+05 0.00942578 19.20053913 1.51916478 0.65732890E-03 0.18850000E+05 0.00911221 19.20393301 1.51914728 0.63383844E-03 0.18900000E+05 0.00880930 19.20724206 1.51911366 0.61123991E-03 0.18950000E+05 0.00851668 19.21046765 1.51908550 0.58949118E-03 0.19000000E+05 0.00823399 19.21361111 1.51907475 0.56854879E-03 0.19050000E+05 0.00796091 19.21667375 1.51908909 0.54837321E-03 0.19100000E+05 0.00769711 19.21965683 1.51912514 0.52893269E-03 0.19150000E+05 0.00744226 19.22256159 1.51915823 0.51020287E-03 0.19200000E+05 0.00719607 19.22538918 1.51916457 0.49216300E-03 0.19250000E+05 0.00695823 19.22814072 1.51914565 0.47479251E-03 0.19300000E+05 0.00672847 19.23081724 1.51911541 0.45807002E-03 0.19350000E+05 0.00650651 19.23341978 1.51908658 0.44197361E-03 0.19400000E+05 0.00629208 19.23594930 1.51907612 0.42648020E-03 0.19450000E+05 0.00608492 19.23840680 1.51909520 0.41156408E-03 0.19500000E+05 0.00588479 19.24079324 1.51913032 0.39719744E-03 0.19550000E+05 0.00569143 19.24310958 1.51915633 0.38335332E-03 0.19600000E+05 0.00550464 19.24535679 1.51916260 0.37000976E-03 0.19650000E+05 0.00532416 19.24753578 1.51914911 0.35715093E-03 0.19700000E+05 0.00514980 19.24964747 1.51911886 0.34476471E-03 0.19750000E+05 0.00498134 19.25169273 1.51908878 0.33283819E-03 0.19800000E+05 0.00481858 19.25367245 1.51908166 0.32135468E-03 0.19850000E+05 0.00466132 19.25558749 1.51910036 0.31029394E-03 0.19900000E+05 0.00450938 19.25743871 1.51912910 0.29963531E-03 0.19950000E+05 0.00436257 19.25922700 1.51915469 0.28936135E-03 0.20000000E+05 0.00422072 19.26095319 1.51916662 0.27945953E-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 -0.002937 2.57286 2 0.1554312 -0.020707 2.02702 3 0.1597487 -0.024766 1.50348 4 0.1640662 -0.015074 0.99282 5 0.1683837 0.001269 0.48667 6 0.1727013 0.014184 -0.01822 7 0.1770188 0.016465 -0.51745 8 0.1813363 0.007923 -1.00175 9 0.1856539 -0.004759 -1.46440 10 0.1899714 -0.012544 -1.90667 11 0.1942889 -0.010249 -2.33660 12 0.1986065 -0.000279 -2.76328 13 0.2029240 0.009114 3.09299 14 0.2072415 0.010265 2.67102 15 0.2115591 0.002548 2.26317 16 0.2158766 -0.006793 1.87335 17 0.2201941 -0.008967 1.49650 18 0.2245117 -0.002022 1.12340 19 0.2288292 0.006837 0.74921 20 0.2331467 0.008260 0.37836 21 0.2374643 0.000714 0.01973 22 0.2417818 -0.007397 -0.32361 23 0.2460993 -0.006823 -0.65783 24 0.2504169 0.001707 -0.99154 25 0.2547344 0.007905 -1.32631 26 0.2590519 0.004191 -1.65474 27 0.2633695 -0.004662 -1.96984 28 0.2676870 -0.007216 -2.27401 29 0.2720045 -0.000152 -2.57598 30 0.2763221 0.007048 -2.88004 31 0.2806396 0.004623 3.10272 32 0.2849571 -0.003996 2.81388 33 0.2892746 -0.006703 2.53563 34 0.2935922 0.000221 2.25943 35 0.2979097 0.006598 1.98070 36 0.3022272 0.003049 1.70536 37 0.3065448 -0.005071 1.44113 38 0.3108623 -0.005537 1.18591 39 0.3151798 0.002231 0.93083 40 0.3194974 0.006174 0.67317 41 0.3238149 0.000243 0.42063 42 0.3281324 -0.006066 0.17924 43 0.3324500 -0.002721 -0.05626 44 0.3367675 0.004767 -0.29433 45 0.3410850 0.004232 -0.53331 46 0.3454026 -0.003269 -0.76390 47 0.3497201 -0.005202 -0.98466 48 0.3540376 0.001562 -1.20454 49 0.3583552 0.005469 -1.42827 50 0.3626727 -0.000136 -1.64817 51 0.3669902 -0.005583 -1.85720 52 0.3713078 -0.001496 -2.06141 53 0.3756253 0.004884 -2.26972 54 0.3799428 0.002307 -2.47834 55 0.3842604 -0.004607 -2.67707 56 0.3885779 -0.003496 -2.86780 57 0.3928954 0.003556 -3.06141 58 0.3972129 0.003657 3.02490 59 0.4015305 -0.003390 2.83617 60 0.4058480 -0.004522 2.65760 61 0.4101655 0.002440 2.47760 62 0.4144831 0.004461 2.29223 63 0.4188006 -0.002316 2.11339 64 0.4231181 -0.005010 1.94635 65 0.4274357 0.001562 1.77913 66 0.4317532 0.004680 1.60497 67 0.4360707 -0.001770 1.43622 68 0.4403883 -0.005097 1.28065 69 0.4447058 0.001396 1.12543 70 0.4490233 0.004877 0.96167 71 0.4533409 -0.001634 0.80309 72 0.4576584 -0.005045 0.65934 73 0.4619759 0.001535 0.51574 74 0.4662935 0.004661 0.36192 75 0.4706110 -0.002047 0.21415 76 0.4749285 -0.004685 0.08291 77 0.4792461 0.002224 -0.04987 78 0.4835636 0.004295 -0.19486 79 0.4878811 -0.002720 -0.33125 80 0.4921987 -0.004114 -0.44926 81 0.4965162 0.002788 -0.57225 82 0.5008337 0.003208 -0.70908 83 0.5051512 -0.003633 -0.83232 84 0.5094688 -0.003157 -0.93605 85 0.5137863 0.003413 -1.05094 86 0.5181038 0.002094 -1.18027 87 0.5224214 -0.003900 -1.28821 88 0.5267389 -0.001619 -1.37747 89 0.5310564 0.003864 -1.48683 90 0.5353740 0.000999 -1.60775 91 0.5396915 -0.003536 -1.69693 92 0.5440090 0.000174 -1.77303 93 0.5483266 0.004207 -1.88056 ******************************************************************************** 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 0.9897603E+00 0.4065290E-02 0.3854935E+00 1 0.7624894E-06 0.7769890E-02 0.1465720E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.2125127E-04 0 26 1 0 0.6672137E-03 0 31 1 1 0.8366833E-04 0 13 3 -3 0.3541111E-05 0 17 3 -2 0.3110776E-04 0 22 3 -1 0.1924824E-03 0 27 3 0 0.1361799E-02 0 32 3 1 0.1351517E-02 0 36 3 2 0.7375702E-04 0 40 3 3 0.5160957E-05 0 7 5 -5 0.7682779E-07 0 10 5 -4 0.9852171E-06 0 14 5 -3 0.1177185E-04 0 18 5 -2 0.5029864E-04 0 23 5 -1 0.2152656E-03 0 28 5 0 0.1742749E-02 0 33 5 1 0.1146292E-01 0 37 5 2 0.1130133E-02 0 41 5 3 0.3335993E-03 0 44 5 4 0.5772507E-04 0 47 5 5 0.6898706E-05 0 3 7 -7 0.8086871E-09 0 5 7 -6 0.6293595E-08 0 8 7 -5 0.1969435E-06 0 11 7 -4 0.2123366E-06 0 15 7 -3 0.1756537E-04 0 19 7 -2 0.1483407E-04 0 24 7 -1 0.5673693E-02 0 29 7 0 0.1476855E-02 0 34 7 1 0.9459702E+00 0 38 7 2 0.1245264E-01 0 42 7 3 0.5207418E-02 0 45 7 4 0.1291656E-03 0 48 7 5 0.1314423E-04 0 50 7 6 0.3957616E-06 0 52 7 7 0.4882071E-07 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 0.2134287E-07 1 26 1 0 0.2182959E-06 1 31 1 1 0.5208798E-06 1 13 3 -3 0.2520245E-17 1 17 3 -2 0.1567203E-11 1 22 3 -1 0.8608830E-18 1 27 3 0 0.2188848E-17 1 32 3 1 0.1969252E-08 1 36 3 2 0.1656506E-17 1 40 3 3 0.7999201E-17 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 0.1157102E-15 1 0.1920950E-05 2 0.9260453E-05 3 0.8965982E-05 4 0.9711973E-06 5 0.1067287E-06 6 0.1271674E-07 7 0.1155678E-07 8 0.1039171E-08 9 0.6487599E-09 v, j, mj = 0 1 0 0 0.1735310E-15 1 0.2335270E-03 2 0.3439044E-03 3 0.8557410E-04 4 0.3692822E-05 5 0.3401767E-06 6 0.1007081E-06 7 0.5078053E-07 8 0.1977295E-07 9 0.3965470E-08 v, j, mj = 0 1 1 0 0.9908344E-05 1 0.3548538E-04 2 0.2652409E-04 3 0.1001480E-04 4 0.1612717E-05 5 0.7930798E-07 6 0.2723840E-07 7 0.1482909E-07 8 0.1296128E-08 9 0.3271933E-09 v, j, mj = 0 3 -3 0 0.7490337E-15 1 0.1667112E-07 2 0.4743551E-06 3 0.1602251E-05 4 0.1210859E-05 5 0.2193785E-06 6 0.1494180E-07 7 0.1867567E-08 8 0.7343603E-09 9 0.5270240E-10 v, j, mj = 0 3 -2 0 0.2871904E-08 1 0.9327372E-06 2 0.1200325E-04 3 0.1349853E-04 4 0.4361722E-05 5 0.2889673E-06 6 0.7234503E-08 7 0.8804357E-08 8 0.3319947E-08 9 0.3237276E-09 v, j, mj = 0 3 -1 0 0.6818694E-14 1 0.2000874E-04 2 0.9692704E-04 3 0.6814961E-04 4 0.7102365E-05 5 0.2609352E-06 6 0.2527244E-07 7 0.3090925E-08 8 0.5269946E-08 9 0.8003744E-10 v, j, mj = 0 3 0 0 0.8533166E-15 1 0.7061542E-03 2 0.5475992E-03 3 0.9616827E-04 4 0.1050053E-04 5 0.1294950E-05 6 0.5308314E-07 7 0.1909557E-07 8 0.9789192E-08 9 0.2223038E-09 v, j, mj = 0 3 1 0 0.2836544E-03 1 0.6453124E-03 2 0.3070942E-03 3 0.1024976E-03 4 0.1216005E-04 5 0.7564287E-06 6 0.2950028E-07 7 0.1177336E-07 8 0.7923486E-09 9 0.1686249E-10 v, j, mj = 0 3 2 0 0.2052877E-16 1 0.1018766E-04 2 0.3142163E-04 3 0.2379157E-04 4 0.7188997E-05 5 0.1126945E-05 6 0.3053000E-07 7 0.6809467E-08 8 0.2671969E-08 9 0.2066843E-09 v, j, mj = 0 3 3 0 0.5361105E-15 1 0.2229613E-05 2 0.1780689E-05 3 0.1737547E-06 4 0.6557669E-06 5 0.2809138E-06 6 0.3628657E-07 7 0.3629059E-08 8 0.2855546E-09 9 0.1885681E-10 v, j, mj = 0 5 -5 0 0.4988771E-10 1 0.2214356E-09 2 0.3775345E-08 3 0.2147640E-07 4 0.1598374E-07 5 0.3918851E-08 6 0.1767831E-07 7 0.1372383E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7161579E-16 1 0.1699814E-08 2 0.1327559E-06 3 0.5164802E-06 4 0.2729726E-06 5 0.2868383E-07 6 0.2923464E-07 7 0.3390156E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.6461854E-15 1 0.2225181E-06 2 0.4704162E-05 3 0.5798552E-05 4 0.8081875E-06 5 0.1450522E-06 6 0.7112079E-07 7 0.2225961E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.4171641E-07 1 0.3554576E-05 2 0.3218339E-04 3 0.1212278E-04 4 0.2215088E-05 5 0.9822989E-07 6 0.6977851E-07 7 0.1307892E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4279890E-14 1 0.8977002E-04 2 0.1126961E-03 3 0.1148849E-04 4 0.1205442E-05 5 0.9681199E-07 6 0.5437631E-08 7 0.3335553E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.8244394E-15 1 0.1546670E-02 2 0.1807514E-03 3 0.9681389E-05 4 0.5428128E-05 5 0.1921638E-06 6 0.1342881E-07 7 0.1315045E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4884081E-02 1 0.5822525E-02 2 0.7335539E-03 3 0.2192202E-04 4 0.6720526E-06 5 0.1451084E-06 6 0.7833256E-08 7 0.1193257E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2818987E-15 1 0.3330058E-03 2 0.6942511E-03 3 0.9962461E-04 4 0.3171115E-05 5 0.1899905E-07 6 0.3336746E-07 7 0.2829828E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.4476073E-14 1 0.7002075E-04 2 0.1753002E-03 3 0.8013621E-04 4 0.7897671E-05 5 0.2316757E-06 6 0.1074083E-07 7 0.2119896E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.7564800E-08 1 0.1516368E-05 2 0.2250328E-04 3 0.2832961E-04 4 0.5129754E-05 5 0.2219943E-06 6 0.9647814E-08 7 0.6857905E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.6054683E-15 1 0.1445933E-07 2 0.1206068E-05 3 0.4024353E-05 4 0.1537873E-05 5 0.8265999E-07 6 0.3078286E-07 7 0.2511144E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.4381703E-17 1 0.5920218E-10 2 0.4624425E-10 3 0.5195327E-10 4 0.2529644E-09 5 0.3983230E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1048616E-16 1 0.1149632E-08 2 0.7756991E-10 3 0.6761405E-09 4 0.4798512E-09 5 0.3910401E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1505217E-07 1 0.3121343E-07 2 0.6560500E-07 3 0.7882728E-08 4 0.5107362E-07 5 0.2611651E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2959341E-16 1 0.4453779E-07 2 0.7995761E-07 3 0.5805349E-07 4 0.1223427E-07 5 0.1755346E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.4872541E-16 1 0.4600253E-05 2 0.1009247E-04 3 0.1044973E-05 4 0.1670171E-05 5 0.1575087E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3108454E-07 1 0.9488850E-05 2 0.4595760E-05 3 0.6859760E-06 4 0.2805285E-07 5 0.4350087E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1405594E-15 1 0.4488912E-02 2 0.1145052E-02 3 0.3584196E-04 4 0.3701612E-05 5 0.1853005E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1590729E-16 1 0.1212861E-02 2 0.2538824E-03 3 0.9872864E-05 4 0.2370111E-06 5 0.2053135E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5939632E+00 1 0.3210697E+00 2 0.2999515E-01 3 0.9259198E-03 4 0.1524447E-04 5 0.9577833E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1045784E-16 1 0.9947498E-02 2 0.2410622E-02 3 0.9277071E-04 4 0.1738007E-05 5 0.1248879E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3676674E-15 1 0.3571604E-02 2 0.1546274E-02 3 0.8450502E-04 4 0.4986357E-05 5 0.4956635E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2484839E-06 1 0.2553915E-04 2 0.8886355E-04 3 0.1370199E-04 4 0.7228499E-06 5 0.8959678E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1391241E-16 1 0.3481671E-05 2 0.6193334E-05 3 0.1780047E-05 4 0.1397512E-05 5 0.2916677E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.6777507E-17 1 0.8727670E-07 2 0.1158348E-06 3 0.7073691E-07 4 0.3044462E-07 5 0.9146862E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.9967087E-09 1 0.5253903E-08 2 0.1142742E-07 3 0.2209068E-08 4 0.1542453E-07 5 0.1350908E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2394367E-16 1 0.7613687E-08 2 0.7205383E-08 3 0.6523799E-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 1 0 0 0.2676365E-17 1 0.1949625E-06 2 0.1470353E-07 3 0.8629798E-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 1 1 0 0.2836232E-06 1 0.2007442E-06 2 0.3176530E-07 3 0.4747141E-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 0.2520245E-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 0.1567203E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.8608830E-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 0.2188848E-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 1 0 0.1969252E-08 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1656506E-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 3 0 0.7999201E-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 = 0.9897611 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.385493 average diffraction energy (ev) = 0.004065 the reaction probability = 0.1023894D-01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42328815D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1005198E+01 0.4551379E-02 0.3788378E+00 1 0.5809552E-05 0.8601219E-02 0.3058555E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1299158E-03 0 26 1 0 0.2514249E-02 0 31 1 1 0.2409281E-03 0 13 3 -3 0.1189397E-04 0 17 3 -2 0.1416053E-03 0 22 3 -1 0.8997886E-03 0 27 3 0 0.4768969E-02 0 32 3 1 0.3649409E-02 0 36 3 2 0.2560652E-03 0 40 3 3 0.3455491E-04 0 7 5 -5 0.7081888E-06 0 10 5 -4 0.8980754E-05 0 14 5 -3 0.8306321E-04 0 18 5 -2 0.2817097E-03 0 23 5 -1 0.1089265E-02 0 28 5 0 0.5162784E-02 0 33 5 1 0.2484339E-01 0 37 5 2 0.4019765E-02 0 41 5 3 0.1291167E-02 0 44 5 4 0.3133330E-03 0 47 5 5 0.6151789E-04 0 3 7 -7 0.2466183E-08 0 5 7 -6 0.1563142E-07 0 8 7 -5 0.2420055E-06 0 11 7 -4 0.1123552E-05 0 15 7 -3 0.4894861E-04 0 19 7 -2 0.4801771E-04 0 24 7 -1 0.1178235E-01 0 29 7 0 0.3325674E-02 0 34 7 1 0.9002621E+00 0 38 7 2 0.2801811E-01 0 42 7 3 0.1111968E-01 0 45 7 4 0.7302532E-03 0 48 7 5 0.4886318E-04 0 50 7 6 0.1625328E-05 0 52 7 7 0.9533821E-07 0 1 9 -9 0.4215067E-12 0 2 9 -8 0.7056541E-12 0 4 9 -7 0.4116010E-10 0 6 9 -6 0.8329896E-10 0 9 9 -5 0.1022197E-06 0 12 9 -4 0.4926650E-09 0 16 9 -3 0.2866375E-06 0 20 9 -2 0.1291422E-06 0 25 9 -1 0.1106609E-06 0 30 9 0 0.4501759E-06 0 35 9 1 0.5543910E-05 0 39 9 2 0.2222104E-06 0 43 9 3 0.1484024E-06 0 46 9 4 0.3307747E-07 0 49 9 5 0.5687261E-06 0 51 9 6 0.4261879E-08 0 53 9 7 0.6682443E-07 0 54 9 8 0.3173702E-09 0 55 9 9 0.1625636E-10 1 21 1 -1 0.1114301E-06 1 26 1 0 0.1011387E-05 1 31 1 1 0.3381173E-05 1 13 3 -3 0.1186440E-08 1 17 3 -2 0.9252220E-08 1 22 3 -1 0.7973359E-07 1 27 3 0 0.1782505E-06 1 32 3 1 0.9006267E-06 1 36 3 2 0.1058465E-06 1 40 3 3 0.3066596E-07 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 0.7299458E-14 1 0.1502174E-04 2 0.6505148E-04 3 0.4662398E-04 4 0.2927789E-05 5 0.2182069E-06 6 0.5471520E-07 7 0.1441859E-07 8 0.2374695E-08 9 0.1048957E-08 v, j, mj = 0 1 0 0 0.9586038E-15 1 0.9954987E-03 2 0.1283060E-02 3 0.2316332E-03 4 0.3117530E-05 5 0.7740151E-06 6 0.1090903E-06 7 0.3889309E-07 8 0.1242647E-07 9 0.4223929E-08 v, j, mj = 0 1 1 0 0.3061763E-04 1 0.9590997E-04 2 0.6930458E-04 3 0.3933836E-04 4 0.5305511E-05 5 0.3546688E-06 6 0.8130103E-07 7 0.1392219E-07 8 0.1611642E-08 9 0.5203727E-09 v, j, mj = 0 3 -3 0 0.4582938E-14 1 0.5101498E-07 2 0.1869118E-05 3 0.4954462E-05 4 0.4054023E-05 5 0.8731596E-06 6 0.8380826E-07 7 0.6361485E-08 8 0.1711200E-08 9 0.3077359E-09 v, j, mj = 0 3 -2 0 0.6008604E-08 1 0.5940925E-05 2 0.5724907E-04 3 0.5942171E-04 4 0.1769718E-04 5 0.1216196E-05 6 0.6137834E-07 7 0.6986935E-08 8 0.2840379E-08 9 0.3027230E-08 v, j, mj = 0 3 -1 0 0.1046883E-12 1 0.1226257E-03 2 0.4705230E-03 3 0.2828715E-03 4 0.2273048E-04 5 0.9600448E-06 6 0.6522930E-07 7 0.7058667E-08 8 0.5157170E-08 9 0.4749867E-09 v, j, mj = 0 3 0 0 0.4509853E-14 1 0.2715535E-02 2 0.1720291E-02 3 0.3066013E-03 4 0.2433858E-04 5 0.2011461E-05 6 0.1704889E-06 7 0.1150206E-07 8 0.8373251E-08 9 0.1501008E-08 v, j, mj = 0 3 1 0 0.9265187E-03 1 0.1696607E-02 2 0.6986149E-03 3 0.2935947E-03 4 0.3198663E-04 5 0.2040988E-05 6 0.4399584E-07 7 0.1744397E-08 8 0.5388915E-09 9 0.1939986E-09 v, j, mj = 0 3 2 0 0.3563496E-16 1 0.7563482E-04 2 0.1063012E-03 3 0.4771172E-04 4 0.2257425E-04 5 0.3595457E-05 6 0.2379590E-06 7 0.4594977E-08 8 0.2554841E-08 9 0.2601491E-08 v, j, mj = 0 3 3 0 0.8436153E-14 1 0.1314626E-04 2 0.1803789E-04 3 0.2265213E-05 4 0.4033743E-06 5 0.5769690E-06 6 0.1155851E-06 7 0.8649941E-08 8 0.7354414E-09 9 0.2393373E-09 v, j, mj = 0 5 -5 0 0.2548319E-09 1 0.9437179E-09 2 0.3238051E-07 3 0.3238076E-06 4 0.2897099E-06 5 0.4228653E-07 6 0.4004672E-08 7 0.6146058E-08 8 0.8655036E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.7762747E-15 1 0.1410130E-07 2 0.1342825E-05 3 0.5079017E-05 4 0.2328192E-05 5 0.1209895E-06 6 0.7432679E-07 7 0.1888987E-07 8 0.2411612E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1455939E-13 1 0.1064854E-05 2 0.3474651E-04 3 0.3989975E-04 4 0.6706407E-05 5 0.5732549E-06 6 0.5255957E-07 7 0.9127488E-08 8 0.1075175E-07 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.5511285E-07 1 0.2259016E-04 2 0.1727569E-03 3 0.7728168E-04 4 0.8745777E-05 5 0.1833985E-06 6 0.7373171E-07 7 0.2010666E-07 8 0.2815093E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.9740485E-13 1 0.4827748E-03 2 0.5385274E-03 3 0.5793460E-04 4 0.9642257E-05 5 0.3719021E-06 6 0.8818363E-08 7 0.1291016E-08 8 0.3425805E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.7801973E-14 1 0.4863847E-02 2 0.1529380E-03 3 0.1305659E-03 4 0.1509574E-04 5 0.2939929E-06 6 0.2697488E-07 7 0.1511995E-07 8 0.1353421E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.1273620E-01 1 0.1094937E-01 2 0.1104815E-02 3 0.4198722E-04 4 0.1027528E-04 5 0.7098178E-06 6 0.2485513E-07 7 0.4161726E-08 8 0.4257509E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.3337373E-14 1 0.1359553E-02 2 0.2315668E-02 3 0.3269326E-03 4 0.1717550E-04 5 0.3548111E-06 6 0.4307634E-07 7 0.3519611E-07 8 0.3302679E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.6889397E-13 1 0.2449249E-03 2 0.6701232E-03 3 0.3432023E-03 4 0.3202409E-04 5 0.8695294E-06 6 0.1765658E-07 7 0.4159397E-08 8 0.1548627E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.7039875E-08 1 0.7608356E-05 2 0.1185177E-03 3 0.1479447E-03 4 0.3716246E-04 5 0.2064359E-05 6 0.1992554E-07 7 0.7922163E-08 8 0.5368282E-09 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1141942E-13 1 0.8895379E-07 2 0.8413331E-05 3 0.3309708E-04 4 0.1814101E-04 5 0.1747178E-05 6 0.2567454E-07 7 0.3928128E-08 8 0.7329292E-09 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.5801528E-16 1 0.9057279E-10 2 0.2440252E-09 3 0.1993286E-09 4 0.3105233E-09 5 0.6842420E-09 6 0.9374911E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1742278E-16 1 0.1002938E-08 2 0.4338406E-09 3 0.2513471E-08 4 0.6148677E-09 5 0.1012707E-07 6 0.9392397E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1197624E-07 1 0.1876135E-07 2 0.8384838E-07 3 0.4414801E-07 4 0.5761861E-07 5 0.1203409E-07 6 0.1361879E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.7271248E-17 1 0.1054743E-06 2 0.4485539E-06 3 0.4483793E-06 4 0.4714698E-07 5 0.7161746E-07 6 0.2380150E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.5014540E-15 1 0.1251216E-04 2 0.3055732E-04 3 0.3842883E-05 4 0.1962702E-05 5 0.7247657E-07 6 0.1075808E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4592269E-07 1 0.2129498E-04 2 0.2389961E-04 3 0.2725259E-05 4 0.2519475E-07 5 0.2609325E-07 6 0.6581257E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.7156543E-14 1 0.9495777E-02 2 0.2187530E-02 3 0.9081649E-04 4 0.7918488E-05 5 0.5970408E-07 6 0.2465049E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.8622358E-15 1 0.2842203E-02 2 0.4555428E-03 3 0.2706385E-04 4 0.8550247E-06 5 0.6827492E-08 6 0.2180406E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5942698E+00 1 0.2716935E+00 2 0.3249581E-01 3 0.1765505E-02 4 0.3698909E-04 5 0.3688469E-06 6 0.2700744E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2566273E-15 1 0.2294542E-01 2 0.4832018E-02 3 0.2313175E-03 4 0.9277340E-05 5 0.6929707E-07 6 0.8802288E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1145733E-13 1 0.6483790E-02 2 0.4262131E-02 3 0.3602509E-03 4 0.1339285E-04 5 0.6480432E-07 6 0.4869578E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3703981E-06 1 0.1140939E-03 2 0.4881809E-03 3 0.1224521E-03 4 0.4657624E-05 5 0.4809178E-06 6 0.1734591E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.9763774E-15 1 0.5753011E-05 2 0.2456528E-04 3 0.1631623E-04 4 0.2044848E-05 5 0.7405641E-07 6 0.1097555E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1888949E-16 1 0.1459241E-06 2 0.5980243E-06 3 0.5826002E-06 4 0.1329577E-06 5 0.1491599E-06 6 0.1666155E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2402566E-10 1 0.1679900E-08 2 0.2105896E-07 3 0.2135343E-07 4 0.1825369E-07 5 0.1500804E-07 6 0.1796017E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2132068E-16 1 0.1683291E-12 2 0.2531563E-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 -8 0 0.5203689E-13 1 0.3188059E-12 2 0.3348112E-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 -7 0 0.1516372E-15 1 0.1594448E-10 2 0.2521546E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.9829300E-18 1 0.4954184E-10 2 0.3375711E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.5963572E-08 1 0.8763917E-07 2 0.8616944E-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 0.4486571E-17 1 0.2166299E-09 2 0.2760351E-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 -3 0 0.6410420E-17 1 0.2773659E-06 2 0.9271568E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3772697E-08 1 0.1213960E-06 2 0.3973546E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2531577E-16 1 0.1073431E-06 2 0.3317787E-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 0 0 0.1078644E-17 1 0.4233192E-06 2 0.2685670E-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 1 0 0.3430060E-05 1 0.1939612E-05 2 0.1742381E-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 2 0 0.1149777E-17 1 0.1682468E-06 2 0.5396354E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2832168E-16 1 0.1278641E-06 2 0.2053826E-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 4 0 0.5480395E-09 1 0.2748779E-07 2 0.5041641E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.2922388E-16 1 0.5517303E-06 2 0.1699586E-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 6 0 0.9446338E-18 1 0.4195015E-08 2 0.6686422E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.7627408E-08 1 0.5298209E-07 2 0.6214937E-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 8 0 0.3140357E-17 1 0.1886411E-09 2 0.1287291E-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 9 0 0.6986749E-16 1 0.8216138E-11 2 0.8040153E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1456947E-16 1 0.6198260E-07 2 0.2878566E-07 3 0.1439681E-07 4 0.6265015E-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 0.3235598E-16 1 0.8654296E-06 2 0.8702954E-07 3 0.2580397E-07 4 0.3312377E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1629932E-05 1 0.1610827E-05 2 0.1096417E-06 3 0.2587222E-07 4 0.4900273E-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 0.1133717E-16 1 0.9938005E-10 2 0.7832663E-09 3 0.3037937E-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 0.1741759E-09 1 0.3870569E-09 2 0.3957378E-08 3 0.4733609E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.1763171E-16 1 0.6265267E-07 2 0.1692774E-07 3 0.1531745E-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 0 0 0.8313900E-18 1 0.1051116E-06 2 0.6930362E-07 3 0.3835244E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.2611849E-06 1 0.5510999E-06 2 0.8437557E-07 3 0.3966357E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.3161356E-17 1 0.4880267E-07 2 0.5250840E-07 3 0.4535402E-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 0.3136997E-16 1 0.3233400E-08 2 0.2700205E-07 3 0.4305097E-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 = 1.0052036 average vibrational energy (ev) = 0.000003 average rotational energy (ev) = 0.378836 average diffraction energy (ev) = 0.004551 the reaction probability = -0.5203620D-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 0.9963749E+00 0.5086063E-02 0.3675822E+00 1 0.1043114E-03 0.8815295E-02 0.2817314E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.4455059E-03 0 26 1 0 0.6569416E-02 0 31 1 1 0.5133119E-03 0 13 3 -3 0.2070895E-04 0 17 3 -2 0.3984703E-03 0 22 3 -1 0.2655918E-02 0 27 3 0 0.1089061E-01 0 32 3 1 0.6443706E-02 0 36 3 2 0.7629821E-03 0 40 3 3 0.1653782E-03 0 7 5 -5 0.7930357E-05 0 10 5 -4 0.6301821E-04 0 14 5 -3 0.4328731E-03 0 18 5 -2 0.1235088E-02 0 23 5 -1 0.4074188E-02 0 28 5 0 0.1246883E-01 0 33 5 1 0.3825324E-01 0 37 5 2 0.9126707E-02 0 41 5 3 0.3460779E-02 0 44 5 4 0.1091665E-02 0 47 5 5 0.2854512E-03 0 3 7 -7 0.1166666E-07 0 5 7 -6 0.5125838E-07 0 8 7 -5 0.5388182E-06 0 11 7 -4 0.8463192E-05 0 15 7 -3 0.1732942E-03 0 19 7 -2 0.1652224E-03 0 24 7 -1 0.2173935E-01 0 29 7 0 0.6138035E-02 0 34 7 1 0.7914002E+00 0 38 7 2 0.5157054E-01 0 42 7 3 0.2202388E-01 0 45 7 4 0.3357331E-02 0 48 7 5 0.2953785E-03 0 50 7 6 0.1543643E-04 0 52 7 7 0.5089176E-06 0 1 9 -9 0.1327574E-10 0 2 9 -8 0.2376462E-10 0 4 9 -7 0.1821803E-09 0 6 9 -6 0.6049502E-09 0 9 9 -5 0.2950204E-07 0 12 9 -4 0.2634511E-08 0 16 9 -3 0.3506916E-06 0 20 9 -2 0.2849361E-06 0 25 9 -1 0.1333982E-05 0 30 9 0 0.2274431E-05 0 35 9 1 0.1033850E-03 0 39 9 2 0.1157931E-04 0 43 9 3 0.7604384E-06 0 46 9 4 0.1994380E-06 0 49 9 5 0.5539408E-06 0 51 9 6 0.2246333E-07 0 53 9 7 0.2125725E-07 0 54 9 8 0.1977094E-08 0 55 9 9 0.3176555E-09 1 21 1 -1 0.1665428E-05 1 26 1 0 0.1678392E-04 1 31 1 1 0.6593041E-04 1 13 3 -3 0.5000580E-08 1 17 3 -2 0.4395696E-07 1 22 3 -1 0.5109625E-06 1 27 3 0 0.2831087E-05 1 32 3 1 0.1180105E-04 1 36 3 2 0.4585856E-05 1 40 3 3 0.1534148E-06 1 7 5 -5 0.7928831E-14 1 10 5 -4 0.2356718E-19 1 14 5 -3 0.7620513E-19 1 18 5 -2 0.2843010E-12 1 23 5 -1 0.6628719E-18 1 28 5 0 0.9415669E-19 1 33 5 1 0.2649403E-09 1 37 5 2 0.1478487E-18 1 41 5 3 0.5250466E-19 1 44 5 4 0.4003606E-11 1 47 5 5 0.5883741E-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 0.9966449E-13 1 0.6845139E-04 2 0.2445684E-03 3 0.1288557E-03 4 0.2806303E-05 5 0.6325585E-06 6 0.1515730E-06 7 0.3310958E-07 8 0.6067805E-08 9 0.8737661E-09 v, j, mj = 0 1 0 0 0.3545098E-14 1 0.2716880E-02 2 0.3400954E-02 3 0.4424254E-03 4 0.7788445E-05 5 0.1161067E-05 6 0.1739705E-06 7 0.1968137E-07 8 0.1059177E-07 9 0.2676220E-08 v, j, mj = 0 1 1 0 0.7989201E-04 1 0.2197012E-03 2 0.1149146E-03 3 0.9053996E-04 4 0.6170097E-05 5 0.1651679E-05 6 0.4003960E-06 7 0.3803240E-07 8 0.3365007E-08 9 0.5833457E-09 v, j, mj = 0 3 -3 0 0.1139789E-13 1 0.1030724E-06 2 0.5419909E-05 3 0.7527923E-05 4 0.6096321E-05 5 0.1365064E-05 6 0.1800290E-06 7 0.1453053E-07 8 0.1188629E-08 9 0.9099965E-09 v, j, mj = 0 3 -2 0 0.1939927E-07 1 0.2976510E-04 2 0.1908738E-03 3 0.1423918E-03 4 0.3246762E-04 5 0.2737368E-05 6 0.1923980E-06 7 0.1482694E-07 8 0.5266619E-08 9 0.2678301E-08 v, j, mj = 0 3 -1 0 0.8110180E-12 1 0.4822166E-03 2 0.1447343E-02 3 0.6957043E-03 4 0.2809313E-04 5 0.2319018E-05 6 0.2181680E-06 7 0.2051133E-07 8 0.1975563E-08 9 0.1343438E-08 v, j, mj = 0 3 0 0 0.9722725E-14 1 0.6460700E-02 2 0.3721347E-02 3 0.6834602E-03 4 0.2245936E-04 5 0.2400847E-05 6 0.2241142E-06 7 0.1454974E-07 8 0.6172128E-08 9 0.1703430E-08 v, j, mj = 0 3 1 0 0.1876071E-02 1 0.3161048E-02 2 0.9089925E-03 3 0.4656381E-03 4 0.2753526E-04 5 0.4064301E-05 6 0.3481196E-06 7 0.6852370E-08 8 0.1654598E-08 9 0.3640889E-09 v, j, mj = 0 3 2 0 0.6890757E-15 1 0.3571057E-03 2 0.3014647E-03 3 0.5651323E-04 4 0.4004025E-04 5 0.7192273E-05 6 0.6468417E-06 7 0.1483989E-07 8 0.2496200E-08 9 0.1724771E-08 v, j, mj = 0 3 3 0 0.6027266E-13 1 0.5288096E-04 2 0.8830803E-04 3 0.2022203E-04 4 0.1567993E-05 5 0.1799923E-05 6 0.5557412E-06 7 0.4105547E-07 8 0.1895324E-08 9 0.5866619E-09 v, j, mj = 0 5 -5 0 0.6649723E-08 1 0.1062456E-07 2 0.2958119E-06 3 0.3505195E-05 4 0.3403436E-05 5 0.6590032E-06 6 0.3750726E-07 7 0.6970197E-08 8 0.5159890E-08 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.5947463E-14 1 0.1164547E-06 2 0.1124664E-04 3 0.3631542E-04 4 0.1407583E-04 5 0.1169101E-05 6 0.7227093E-07 7 0.1576115E-07 8 0.6728695E-08 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1576649E-12 1 0.5995026E-05 2 0.2041881E-03 3 0.1920122E-03 4 0.2893706E-04 5 0.1663486E-05 6 0.6573289E-07 7 0.8809828E-08 8 0.2694209E-08 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1087162E-06 1 0.1138534E-03 2 0.7575281E-03 3 0.3299236E-03 4 0.3278834E-04 5 0.7783002E-06 6 0.8788004E-07 7 0.1793938E-07 8 0.1916264E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.9234094E-12 1 0.1899424E-02 2 0.1760323E-02 3 0.3635640E-03 4 0.4969119E-04 5 0.1151525E-05 6 0.2913668E-07 7 0.4203453E-08 8 0.1582525E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.4893854E-13 1 0.1112241E-01 2 0.6184868E-03 3 0.6805440E-03 4 0.4647987E-04 5 0.8799674E-06 6 0.2601838E-07 7 0.7798979E-08 8 0.4401898E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2377454E-01 1 0.1276192E-01 2 0.1384448E-02 3 0.2648133E-03 4 0.6391727E-04 5 0.3569946E-05 6 0.2193320E-07 7 0.3800689E-08 8 0.2480529E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2156918E-13 1 0.3628855E-02 2 0.4762663E-02 3 0.6808419E-03 4 0.5264786E-04 5 0.1577034E-05 6 0.8643616E-07 7 0.2454652E-07 8 0.1082600E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.4398243E-12 1 0.7414959E-03 2 0.1763216E-02 3 0.8837953E-03 4 0.6976659E-04 5 0.2439739E-05 6 0.5865492E-07 7 0.6109983E-08 8 0.1039477E-08 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1975321E-07 1 0.3590555E-04 2 0.4429842E-03 3 0.4868343E-03 4 0.1175401E-03 5 0.8208083E-05 6 0.1662520E-06 7 0.2621423E-08 8 0.4394681E-08 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.8367064E-13 1 0.7024986E-06 2 0.3879055E-04 3 0.1394690E-03 4 0.9150862E-04 5 0.1441522E-04 6 0.5529106E-06 7 0.1112165E-07 8 0.1249242E-08 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.5633997E-15 1 0.5392254E-09 2 0.1636110E-08 3 0.2504277E-08 4 0.1511653E-08 5 0.1530115E-08 6 0.2915420E-08 7 0.1029861E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4142392E-15 1 0.8429770E-08 2 0.8327869E-08 3 0.1445526E-07 4 0.4899647E-08 5 0.9904047E-08 6 0.3889553E-08 7 0.1352226E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.4292760E-07 1 0.1147554E-07 2 0.9692636E-07 3 0.2579643E-06 4 0.1104146E-06 5 0.7692000E-08 6 0.1104661E-07 7 0.3712154E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.9687351E-15 1 0.2274323E-06 2 0.3596866E-05 3 0.4129777E-05 4 0.4309256E-06 5 0.6385288E-07 6 0.1430875E-07 7 0.3012347E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1908319E-13 1 0.3450770E-04 2 0.1163257E-03 3 0.1948544E-04 4 0.2922976E-05 5 0.4038736E-07 6 0.1071268E-07 7 0.1302013E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.7643219E-07 1 0.5194726E-04 2 0.1070890E-03 3 0.5827439E-05 4 0.2077003E-06 5 0.7195260E-07 6 0.2210585E-08 7 0.4597033E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2602802E-12 1 0.1883226E-01 2 0.2737294E-02 3 0.1550172E-03 4 0.1444686E-04 5 0.1755156E-06 6 0.1499390E-06 7 0.2231979E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.9641632E-14 1 0.5664287E-02 2 0.3964804E-03 3 0.7593391E-04 4 0.1278424E-05 5 0.5198008E-07 6 0.3672051E-08 7 0.2744438E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.6024438E+00 1 0.1572773E+00 2 0.2976990E-01 3 0.1856840E-02 4 0.5164017E-04 5 0.7273812E-06 6 0.2625590E-07 7 0.1089657E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.3942787E-14 1 0.4579137E-01 2 0.5199921E-02 3 0.5450844E-03 4 0.3378730E-04 5 0.3722176E-06 6 0.4949753E-08 7 0.1292303E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3053635E-12 1 0.1165259E-01 2 0.9584703E-02 3 0.7541205E-03 4 0.3189616E-04 5 0.5304640E-06 6 0.3246127E-07 7 0.3849502E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.5773745E-06 1 0.4669277E-03 2 0.2182070E-02 3 0.6746935E-03 4 0.3219491E-04 5 0.8119374E-06 6 0.5391854E-07 7 0.1814914E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.3443801E-13 1 0.6923655E-05 2 0.1290911E-03 3 0.1430823E-03 4 0.1598439E-04 5 0.2432867E-06 6 0.5341716E-07 7 0.3633503E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1149192E-14 1 0.1375730E-06 2 0.4502713E-05 3 0.8533969E-05 4 0.2119650E-05 5 0.9404515E-07 6 0.4290394E-07 7 0.5578258E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2071556E-08 1 0.1607166E-08 2 0.7033791E-07 3 0.2602503E-06 4 0.1194739E-06 5 0.8113100E-08 6 0.4198563E-07 7 0.5078091E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1111072E-17 1 0.1404071E-11 2 0.3727914E-11 3 0.7992798E-11 4 0.1509534E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.5924354E-12 1 0.2180010E-11 2 0.9569410E-11 3 0.1125026E-10 4 0.1725026E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.8955834E-16 1 0.8303900E-10 2 0.3161365E-10 3 0.6736840E-10 4 0.1591925E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4532841E-18 1 0.3637597E-09 2 0.1095602E-09 3 0.1313869E-09 4 0.2434212E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1820088E-07 1 0.3441476E-08 2 0.4825852E-08 3 0.3029972E-08 4 0.3861581E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1533797E-18 1 0.5609104E-09 2 0.1278549E-08 3 0.7928148E-09 4 0.2236637E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1035376E-16 1 0.2967282E-06 2 0.4477320E-07 3 0.9186049E-08 4 0.4184486E-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 -2 0 0.8184568E-10 1 0.1835359E-06 2 0.3793125E-07 3 0.6336757E-07 4 0.1956580E-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 0.2254414E-16 1 0.1025609E-05 2 0.1872307E-06 3 0.1209861E-06 4 0.1568919E-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 0 0 0.4753006E-17 1 0.1734552E-05 2 0.3979019E-06 3 0.1419337E-06 4 0.4403501E-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 0.6112867E-04 1 0.4071927E-04 2 0.1299296E-05 3 0.2376044E-06 4 0.1249350E-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 0.8844145E-17 1 0.9648591E-05 2 0.1772200E-05 3 0.1584679E-06 4 0.4750998E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.2601648E-16 1 0.2763166E-06 2 0.4346200E-06 3 0.4945764E-07 4 0.4415851E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.9142866E-09 1 0.4917395E-07 2 0.2060060E-07 3 0.1286849E-06 4 0.6422827E-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 5 0 0.4097395E-17 1 0.4328400E-06 2 0.1103136E-06 3 0.1076802E-07 4 0.1912684E-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 6 0 0.3896556E-17 1 0.1250920E-07 2 0.8351339E-08 3 0.1597346E-08 4 0.5442614E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1057613E-07 1 0.6182681E-08 2 0.1284262E-08 3 0.3211572E-08 4 0.2613728E-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 8 0 0.8152873E-18 1 0.8319166E-09 2 0.8291368E-09 3 0.3150899E-09 4 0.9506398E-12 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.6999248E-16 1 0.3691328E-10 2 0.1127956E-09 3 0.1636341E-09 4 0.4312380E-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 1 -1 0 0.3691063E-15 1 0.1031858E-05 2 0.4305792E-06 3 0.1897232E-06 4 0.9873883E-08 5 0.3393325E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1295165E-14 1 0.1007479E-04 2 0.5963487E-05 3 0.6799400E-06 4 0.4358640E-07 5 0.2211840E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.2592220E-04 1 0.3646151E-04 2 0.2852870E-05 3 0.6662863E-06 4 0.2226217E-07 5 0.5285786E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.8251163E-17 1 0.1088324E-09 2 0.1044956E-08 3 0.1781782E-08 4 0.2065010E-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 0.1903958E-09 1 0.7782148E-08 2 0.1319789E-07 3 0.1837795E-07 4 0.4408573E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.5947727E-17 1 0.3203281E-06 2 0.1626155E-06 3 0.2696546E-07 4 0.1053473E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.3429343E-16 1 0.2165833E-05 2 0.6500251E-06 3 0.1120768E-07 4 0.4021769E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.6075031E-05 1 0.5457393E-05 2 0.2499055E-06 3 0.1775288E-07 4 0.9679830E-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 2 0 0.1092151E-16 1 0.3280580E-05 2 0.1250957E-05 3 0.5340779E-07 4 0.9110590E-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 3 0 0.1358366E-16 1 0.5434752E-07 2 0.9461387E-07 3 0.3452901E-08 4 0.1000520E-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 = 0.9964792 average vibrational energy (ev) = 0.000053 average rotational energy (ev) = 0.367547 average diffraction energy (ev) = 0.005086 the reaction probability = 0.3520833D-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 0.9960356E+00 0.6428946E-02 0.3539851E+00 1 0.8391086E-03 0.1255885E-01 0.4444611E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.9248253E-03 0 26 1 0 0.1259507E-01 0 31 1 1 0.8157147E-03 0 13 3 -3 0.1905366E-04 0 17 3 -2 0.6993309E-03 0 22 3 -1 0.5346414E-02 0 27 3 0 0.1802371E-01 0 32 3 1 0.8494306E-02 0 36 3 2 0.1862954E-02 0 40 3 3 0.4378917E-03 0 7 5 -5 0.5063213E-04 0 10 5 -4 0.3033769E-03 0 14 5 -3 0.1596023E-02 0 18 5 -2 0.3898339E-02 0 23 5 -1 0.1114439E-01 0 28 5 0 0.2491785E-01 0 33 5 1 0.4465253E-01 0 37 5 2 0.1409262E-01 0 41 5 3 0.6690853E-02 0 44 5 4 0.2596042E-02 0 47 5 5 0.7575039E-03 0 3 7 -7 0.5255590E-07 0 5 7 -6 0.2124235E-06 0 8 7 -5 0.3595345E-05 0 11 7 -4 0.6710466E-04 0 15 7 -3 0.6166061E-03 0 19 7 -2 0.4893394E-03 0 24 7 -1 0.3553175E-01 0 29 7 0 0.9565893E-02 0 34 7 1 0.6598398E+00 0 38 7 2 0.7770181E-01 0 42 7 3 0.3798886E-01 0 45 7 4 0.1123216E-01 0 48 7 5 0.1725620E-02 0 50 7 6 0.1770735E-03 0 52 7 7 0.8844205E-05 0 1 9 -9 0.7931690E-10 0 2 9 -8 0.1576735E-09 0 4 9 -7 0.8317985E-09 0 6 9 -6 0.1951811E-08 0 9 9 -5 0.1407699E-06 0 12 9 -4 0.1757797E-07 0 16 9 -3 0.1151344E-05 0 20 9 -2 0.7570927E-06 0 25 9 -1 0.1015114E-04 0 30 9 0 0.3381342E-04 0 35 9 1 0.9571773E-03 0 39 9 2 0.1590589E-03 0 43 9 3 0.1869331E-05 0 46 9 4 0.1371367E-05 0 49 9 5 0.1808404E-05 0 51 9 6 0.6090499E-07 0 53 9 7 0.8117966E-07 0 54 9 8 0.1649813E-07 0 55 9 9 0.2331852E-08 1 21 1 -1 0.1272242E-03 1 26 1 0 0.1147350E-03 1 31 1 1 0.2485868E-03 1 13 3 -3 0.4084817E-07 1 17 3 -2 0.1191678E-05 1 22 3 -1 0.2358710E-05 1 27 3 0 0.9337714E-05 1 32 3 1 0.2276002E-03 1 36 3 2 0.9054837E-04 1 40 3 3 0.1623102E-04 1 7 5 -5 0.5628353E-09 1 10 5 -4 0.2174231E-09 1 14 5 -3 0.2448457E-08 1 18 5 -2 0.3958252E-08 1 23 5 -1 0.3297560E-07 1 28 5 0 0.4260450E-07 1 33 5 1 0.1086612E-05 1 37 5 2 0.6044138E-07 1 41 5 3 0.1905720E-07 1 44 5 4 0.2518457E-08 1 47 5 5 0.2637567E-08 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.4349233E-12 1 0.1709968E-03 2 0.5501205E-03 3 0.1960346E-03 4 0.4530211E-05 5 0.2190679E-05 6 0.7526644E-06 7 0.1773490E-06 8 0.2137337E-07 9 0.1106516E-08 v, j, mj = 0 1 0 0 0.3068695E-13 1 0.4822340E-02 2 0.6971090E-02 3 0.7313786E-03 4 0.6526375E-04 5 0.4668327E-05 6 0.2920131E-06 7 0.2572404E-07 8 0.6250378E-08 9 0.3101855E-08 v, j, mj = 0 1 1 0 0.1455801E-03 1 0.3957538E-03 2 0.1474339E-03 3 0.1175391E-03 4 0.2366498E-05 5 0.4395323E-05 6 0.2107124E-05 7 0.5059552E-06 8 0.3159029E-07 9 0.1231481E-08 v, j, mj = 0 3 -3 0 0.6542906E-14 1 0.3127924E-06 2 0.9825249E-05 3 0.2305574E-05 4 0.4701200E-05 5 0.1542022E-05 6 0.3349603E-06 7 0.2790645E-07 8 0.2099577E-08 9 0.1855003E-08 v, j, mj = 0 3 -2 0 0.7967150E-07 1 0.9441218E-04 2 0.4063127E-03 3 0.1646537E-03 4 0.2683487E-04 5 0.6595622E-05 6 0.4040670E-06 7 0.3098802E-07 8 0.5280712E-08 9 0.1875802E-08 v, j, mj = 0 3 -1 0 0.3185029E-11 1 0.1185940E-02 2 0.3064091E-02 3 0.1078476E-02 4 0.1137382E-04 5 0.5925935E-05 6 0.5440798E-06 7 0.5866852E-07 8 0.3424758E-08 9 0.1143470E-08 v, j, mj = 0 3 0 0 0.3356030E-13 1 0.9494449E-02 2 0.7361230E-02 3 0.1160505E-02 4 0.3921893E-05 5 0.3471455E-05 6 0.1119497E-06 7 0.1679615E-07 8 0.4756901E-08 9 0.3552779E-08 v, j, mj = 0 3 1 0 0.2310192E-02 1 0.5078613E-02 2 0.6953179E-03 3 0.3873995E-03 4 0.9312221E-05 5 0.1153869E-04 6 0.1820218E-05 7 0.1067327E-06 8 0.4410854E-08 9 0.8846014E-09 v, j, mj = 0 3 2 0 0.6955778E-14 1 0.1059717E-02 2 0.6956829E-03 3 0.4529880E-04 4 0.4799904E-04 5 0.1348736E-04 6 0.7462993E-06 7 0.1810279E-07 8 0.3269311E-08 9 0.1581521E-08 v, j, mj = 0 3 3 0 0.2504336E-12 1 0.1473333E-03 2 0.2267482E-03 3 0.4839473E-04 4 0.6610901E-05 5 0.5795461E-05 6 0.2656887E-05 7 0.3394407E-06 8 0.1207648E-07 9 0.5878003E-09 v, j, mj = 0 5 -5 0 0.1237200E-06 1 0.6854532E-07 2 0.2327457E-05 3 0.2373176E-04 4 0.1963534E-04 5 0.4468755E-05 6 0.2609239E-06 7 0.1078060E-07 8 0.3639661E-08 9 0.1213762E-08 v, j, mj = 0 5 -4 0 0.4327455E-13 1 0.8428977E-06 2 0.6903494E-04 3 0.1797409E-03 4 0.4922529E-04 5 0.4377689E-05 6 0.1418688E-06 7 0.1004336E-07 8 0.2855329E-08 9 0.4475160E-09 v, j, mj = 0 5 -3 0 0.1018619E-11 1 0.2591457E-04 2 0.8830652E-03 3 0.6203685E-03 4 0.6500381E-04 5 0.1610887E-05 6 0.4625885E-07 7 0.7847758E-08 8 0.4263013E-08 9 0.1928920E-08 v, j, mj = 0 5 -2 0 0.2839146E-06 1 0.4127103E-03 2 0.2483847E-02 3 0.9119608E-03 4 0.8800972E-04 5 0.1443530E-05 6 0.7176320E-07 7 0.1081125E-07 8 0.8417975E-09 9 0.2034079E-09 v, j, mj = 0 5 -1 0 0.5156357E-11 1 0.5139986E-02 2 0.4136705E-02 3 0.1735823E-02 4 0.1301871E-03 5 0.1591606E-05 6 0.9191858E-07 7 0.3338218E-08 8 0.3094797E-08 9 0.7977267E-09 v, j, mj = 0 5 0 0 0.2199815E-12 1 0.1852513E-01 2 0.4306381E-02 3 0.1976197E-02 4 0.1089833E-03 5 0.1106620E-05 6 0.3659723E-07 7 0.1148006E-07 8 0.1889003E-08 9 0.1247274E-08 v, j, mj = 0 5 1 0 0.2999166E-01 1 0.1144906E-01 2 0.1975349E-02 3 0.1056576E-02 4 0.1729098E-03 5 0.6844673E-05 6 0.1290321E-06 7 0.4519140E-08 8 0.2519095E-08 9 0.2462221E-09 v, j, mj = 0 5 2 0 0.8518152E-13 1 0.6260971E-02 2 0.6619812E-02 3 0.1125242E-02 4 0.8506361E-04 5 0.1442144E-05 6 0.6254183E-07 7 0.2136526E-07 8 0.3422637E-08 9 0.4662065E-09 v, j, mj = 0 5 3 0 0.1340727E-11 1 0.1864339E-02 2 0.3160166E-02 3 0.1548198E-02 4 0.1101637E-03 5 0.7529856E-05 6 0.4401745E-06 7 0.1449653E-07 8 0.2544527E-08 9 0.4420328E-09 v, j, mj = 0 5 4 0 0.1110239E-06 1 0.1403416E-03 2 0.1158848E-02 3 0.1080868E-02 4 0.2021546E-03 5 0.1326601E-04 6 0.4388993E-06 7 0.9018672E-08 8 0.3611111E-08 9 0.1534820E-08 v, j, mj = 0 5 5 0 0.2775825E-12 1 0.3422963E-05 2 0.1300412E-03 3 0.3624423E-03 4 0.2143303E-03 5 0.4428823E-04 6 0.2909994E-05 7 0.6642284E-07 8 0.1545126E-08 9 0.9211352E-09 v, j, mj = 0 7 -7 0 0.5055621E-14 1 0.7951335E-08 2 0.1494909E-07 3 0.1794583E-07 4 0.6481398E-08 5 0.1515847E-08 6 0.1435076E-08 7 0.2277325E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2324311E-14 1 0.3589383E-07 2 0.3846675E-07 3 0.7660036E-07 4 0.3856556E-07 5 0.1199963E-07 6 0.6173031E-08 7 0.4724299E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.6945569E-07 1 0.1111594E-06 2 0.4352649E-06 3 0.2104840E-05 4 0.8136217E-06 5 0.4732864E-07 6 0.9885524E-08 7 0.3788829E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.6484943E-14 1 0.3163264E-06 2 0.2729018E-04 3 0.3557503E-04 4 0.3850269E-05 5 0.5143808E-07 6 0.1904759E-07 7 0.2375063E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2759426E-12 1 0.9448162E-04 2 0.4377164E-03 3 0.7956920E-04 4 0.4755239E-05 5 0.5689143E-07 6 0.2237949E-07 7 0.4377585E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1531388E-06 1 0.1271128E-03 2 0.3486159E-03 3 0.8885168E-05 4 0.4359641E-05 5 0.2067468E-06 6 0.4322393E-08 7 0.1612423E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.3685875E-11 1 0.3339191E-01 2 0.1798071E-02 3 0.3308423E-03 4 0.1057305E-04 5 0.2750591E-06 6 0.6087058E-07 7 0.1397845E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.4412447E-13 1 0.9176741E-02 2 0.2339594E-03 3 0.1527920E-03 4 0.2141960E-05 5 0.2422358E-06 6 0.1079791E-07 7 0.5234048E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.5844753E+00 1 0.4679695E-01 2 0.2758920E-01 3 0.8956682E-03 4 0.8097137E-04 5 0.1616750E-05 6 0.4105770E-07 7 0.3088266E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2568385E-13 1 0.7394970E-01 2 0.2181248E-02 3 0.1516416E-02 4 0.5350181E-04 5 0.9192492E-06 6 0.1673909E-07 7 0.1499124E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3880093E-11 1 0.2113473E-01 2 0.1616060E-01 3 0.6131470E-03 4 0.7808101E-04 5 0.2274018E-05 6 0.1955157E-07 7 0.4425231E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1204530E-05 1 0.1637545E-02 2 0.7314793E-02 3 0.2173425E-02 4 0.1032109E-03 5 0.1931300E-05 6 0.4804335E-07 7 0.5088189E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.5285814E-12 1 0.7558456E-05 2 0.7077332E-03 3 0.8775606E-03 4 0.1294733E-03 5 0.3238177E-05 6 0.4354085E-07 7 0.1259603E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1223885E-13 1 0.3668958E-06 2 0.3562057E-04 3 0.1024143E-03 4 0.3703526E-04 5 0.1587284E-05 6 0.3074180E-07 7 0.1848581E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1499768E-07 1 0.2032190E-08 2 0.5929041E-06 3 0.4949524E-05 4 0.3035062E-05 5 0.2152356E-06 6 0.2155672E-07 7 0.1289265E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2994593E-16 1 0.8451685E-11 2 0.1680325E-10 3 0.1813872E-10 4 0.3544603E-10 5 0.4771879E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1319617E-12 1 0.2502601E-10 2 0.6576574E-10 3 0.3738133E-10 4 0.2836157E-10 5 0.1006908E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.8248967E-17 1 0.2565928E-09 2 0.2708345E-09 3 0.2452271E-09 4 0.5888409E-10 5 0.2599273E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4632254E-17 1 0.3686871E-09 2 0.1270095E-08 3 0.2232279E-09 4 0.8800010E-10 5 0.1800574E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.5607067E-07 1 0.4115587E-07 2 0.4087049E-07 3 0.2102290E-08 4 0.5688266E-09 5 0.1743420E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1039430E-16 1 0.6398290E-08 2 0.6788265E-08 3 0.2461366E-08 4 0.1929352E-08 5 0.6967875E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1054280E-15 1 0.9355560E-06 2 0.1952753E-06 3 0.1757908E-07 4 0.2930103E-08 5 0.3560271E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1055070E-08 1 0.2398265E-06 2 0.4744139E-06 3 0.3061777E-07 4 0.1106245E-07 5 0.1170466E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.9868846E-15 1 0.7500817E-05 2 0.2508038E-05 3 0.1304190E-06 4 0.1171346E-07 5 0.1523374E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.2697019E-16 1 0.2866846E-04 2 0.5015073E-05 3 0.8889191E-07 4 0.4070069E-07 5 0.2991863E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.5397161E-03 1 0.4023594E-03 2 0.1492398E-04 3 0.1424694E-06 4 0.3459015E-07 5 0.7329164E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.2198914E-15 1 0.1477610E-03 2 0.1107207E-04 3 0.1010868E-06 4 0.1238357E-06 5 0.8772860E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1610530E-14 1 0.5749354E-06 2 0.1219755E-05 3 0.6286077E-07 4 0.1163959E-07 5 0.1409343E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1098218E-07 1 0.1517558E-06 2 0.9651582E-06 3 0.2171517E-06 4 0.2619861E-07 5 0.1203885E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1271095E-15 1 0.1455952E-05 2 0.3108768E-06 3 0.2480895E-07 4 0.1667847E-07 5 0.8682946E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.7024246E-17 1 0.3578654E-07 2 0.1220364E-07 3 0.9562882E-08 4 0.3314331E-08 5 0.3759366E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.2282561E-07 1 0.4206012E-08 2 0.4899321E-07 3 0.3902293E-08 4 0.1248098E-08 5 0.4434693E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3281875E-18 1 0.3001120E-08 2 0.4611080E-08 3 0.6932079E-08 4 0.1948600E-08 5 0.5250311E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.3775071E-16 1 0.3899617E-09 2 0.5323218E-09 3 0.7923859E-09 4 0.5928875E-09 5 0.2429504E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.9785323E-14 1 0.3573992E-04 2 0.7097636E-04 3 0.1950462E-04 4 0.9909275E-06 5 0.1083437E-07 6 0.1567032E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.1446338E-13 1 0.7786047E-04 2 0.3262092E-04 3 0.4084248E-05 4 0.1463055E-06 5 0.2175155E-07 6 0.1336818E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.9694822E-04 1 0.1372770E-03 2 0.4485017E-05 3 0.8890245E-05 4 0.9743666E-06 5 0.1098451E-07 6 0.9845355E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.6797805E-15 1 0.3822667E-08 2 0.1900788E-07 3 0.9689691E-08 4 0.7288116E-08 5 0.1039819E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1317398E-08 1 0.1949962E-06 2 0.8234258E-06 3 0.1585959E-06 4 0.1262199E-07 5 0.7210008E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.2162615E-16 1 0.9501441E-06 2 0.7545381E-06 3 0.6201379E-06 4 0.3201210E-07 5 0.1877618E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.5477270E-15 1 0.1606990E-05 2 0.6730443E-05 3 0.9627402E-06 4 0.3195503E-07 5 0.5584947E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1079975E-03 1 0.1169061E-03 2 0.1831931E-05 3 0.8080140E-06 4 0.5203545E-07 5 0.4608717E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2695106E-16 1 0.5872607E-04 2 0.3041778E-04 3 0.1383506E-05 4 0.2048428E-07 5 0.5241425E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3782976E-14 1 0.4498836E-05 2 0.1030748E-04 3 0.1393676E-05 4 0.3043093E-07 5 0.5954720E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1441905E-09 1 0.1319245E-09 2 0.2846301E-09 3 0.2090219E-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 -4 0 0.6435326E-17 1 0.1788018E-10 2 0.1984048E-09 3 0.1138060E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.1687448E-17 1 0.2147851E-08 2 0.2967426E-09 3 0.3863920E-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 0.6471073E-10 1 0.1574594E-08 2 0.2275307E-08 3 0.4363981E-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 -1 0 0.6640367E-17 1 0.2310768E-07 2 0.9662809E-08 3 0.2051118E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.3002147E-17 1 0.2848330E-07 2 0.1396847E-07 3 0.1527292E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.5029588E-06 1 0.5256223E-06 2 0.5699556E-07 3 0.1035739E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.2069109E-17 1 0.4285467E-07 2 0.1705748E-07 3 0.5292299E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1410234E-16 1 0.1315962E-07 2 0.5606500E-08 3 0.2910824E-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 0.5140458E-10 1 0.5394289E-09 2 0.1916239E-08 3 0.1138467E-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 5 0 0.1717538E-17 1 0.9401547E-09 2 0.1604046E-08 3 0.9336627E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9968747 average vibrational energy (ev) = 0.000429 average rotational energy (ev) = 0.353725 average diffraction energy (ev) = 0.006434 the reaction probability = 0.3125306D-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 0.9973544E+00 0.9609158E-02 0.3411717E+00 1 0.3882685E-02 0.2371465E-01 0.6467597E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1586458E-02 0 26 1 0 0.1771051E-01 0 31 1 1 0.1119737E-02 0 13 3 -3 0.5451880E-04 0 17 3 -2 0.8784860E-03 0 22 3 -1 0.7874996E-02 0 27 3 0 0.2528722E-01 0 32 3 1 0.8422400E-02 0 36 3 2 0.3338126E-02 0 40 3 3 0.7300219E-03 0 7 5 -5 0.2000687E-03 0 10 5 -4 0.1067479E-02 0 14 5 -3 0.4260207E-02 0 18 5 -2 0.8756225E-02 0 23 5 -1 0.2318427E-01 0 28 5 0 0.4125946E-01 0 33 5 1 0.4486401E-01 0 37 5 2 0.1653163E-01 0 41 5 3 0.9843208E-02 0 44 5 4 0.4258664E-02 0 47 5 5 0.1270302E-02 0 3 7 -7 0.2380235E-06 0 5 7 -6 0.1442706E-05 0 8 7 -5 0.3372282E-04 0 11 7 -4 0.3948138E-03 0 15 7 -3 0.1887422E-02 0 19 7 -2 0.1256142E-02 0 24 7 -1 0.5203675E-01 0 29 7 0 0.1326383E-01 0 34 7 1 0.5119062E+00 0 38 7 2 0.9842335E-01 0 42 7 3 0.5509593E-01 0 45 7 4 0.2691067E-01 0 48 7 5 0.6812631E-02 0 50 7 6 0.1335538E-02 0 52 7 7 0.1677583E-03 0 1 9 -9 0.3683265E-09 0 2 9 -8 0.1030114E-08 0 4 9 -7 0.1620595E-08 0 6 9 -6 0.1129906E-07 0 9 9 -5 0.1779455E-06 0 12 9 -4 0.1179550E-06 0 16 9 -3 0.1075642E-05 0 20 9 -2 0.7908275E-05 0 25 9 -1 0.7496161E-04 0 30 9 0 0.1642463E-03 0 35 9 1 0.4173644E-02 0 39 9 2 0.8819138E-03 0 43 9 3 0.1460269E-04 0 46 9 4 0.9176891E-05 0 49 9 5 0.1697468E-05 0 51 9 6 0.2569389E-06 0 53 9 7 0.1150707E-06 0 54 9 8 0.8696187E-07 0 55 9 9 0.1822671E-07 1 21 1 -1 0.5674600E-03 1 26 1 0 0.4169597E-03 1 31 1 1 0.2394141E-03 1 13 3 -3 0.2820407E-05 1 17 3 -2 0.2851991E-04 1 22 3 -1 0.1310095E-03 1 27 3 0 0.9206692E-04 1 32 3 1 0.7073073E-03 1 36 3 2 0.6165705E-03 1 40 3 3 0.1046711E-02 1 7 5 -5 0.2511374E-08 1 10 5 -4 0.1859743E-08 1 14 5 -3 0.7478790E-08 1 18 5 -2 0.4464058E-07 1 23 5 -1 0.1168934E-06 1 28 5 0 0.2031646E-06 1 33 5 1 0.2734304E-04 1 37 5 2 0.4969361E-05 1 41 5 3 0.1096820E-05 1 44 5 4 0.3733648E-07 1 47 5 5 0.2254452E-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 0.1629738E-11 1 0.2765567E-03 2 0.1040160E-02 3 0.2262893E-03 4 0.2722650E-04 5 0.1003340E-04 6 0.4567561E-05 7 0.1460496E-05 8 0.1597522E-06 9 0.3861378E-08 v, j, mj = 0 1 0 0 0.2443545E-12 1 0.5122135E-02 2 0.1112085E-01 3 0.1243640E-02 4 0.1832654E-03 5 0.3711502E-04 6 0.3149595E-05 7 0.3314791E-06 8 0.1244881E-07 9 0.6020802E-08 v, j, mj = 0 1 1 0 0.3106741E-03 1 0.5041677E-03 2 0.1622173E-03 3 0.1006689E-03 4 0.2456811E-04 5 0.5794796E-05 6 0.7800596E-05 7 0.3418202E-05 8 0.4207834E-06 9 0.6961632E-08 v, j, mj = 0 3 -3 0 0.1004375E-13 1 0.1808398E-05 2 0.2982097E-04 3 0.1169365E-04 4 0.5241828E-05 5 0.4468062E-05 6 0.1285710E-05 7 0.1879529E-06 8 0.1074272E-07 9 0.1489171E-08 v, j, mj = 0 3 -2 0 0.1074006E-06 1 0.1654568E-03 2 0.5913480E-03 3 0.7323652E-04 4 0.2551542E-04 5 0.2102624E-04 6 0.1704899E-05 7 0.8280528E-07 8 0.6775815E-08 9 0.1155988E-08 v, j, mj = 0 3 -1 0 0.9013064E-11 1 0.1716032E-02 2 0.4927220E-02 3 0.1108662E-02 4 0.1057197E-03 5 0.1515118E-04 6 0.1887161E-05 7 0.3022084E-06 8 0.2177070E-07 9 0.9725993E-09 v, j, mj = 0 3 0 0 0.1069204E-12 1 0.8661395E-02 2 0.1480234E-01 3 0.1739901E-02 4 0.7821566E-04 5 0.4676959E-05 6 0.5766726E-06 7 0.9963178E-07 8 0.6582729E-08 9 0.3017576E-08 v, j, mj = 0 3 1 0 0.1304270E-02 1 0.6534973E-02 2 0.2838198E-03 3 0.2117517E-03 4 0.3961380E-04 5 0.3935872E-04 6 0.7606941E-05 7 0.9538988E-06 8 0.4976935E-07 9 0.2073167E-08 v, j, mj = 0 3 2 0 0.7218485E-13 1 0.2145925E-02 2 0.1064942E-02 3 0.5593343E-04 4 0.3882285E-04 5 0.3002557E-04 6 0.2259727E-05 7 0.2057114E-06 8 0.9950838E-08 9 0.1083606E-08 v, j, mj = 0 3 3 0 0.5342588E-12 1 0.3345919E-03 2 0.3130792E-03 3 0.3530645E-04 4 0.2142210E-04 5 0.1516980E-04 6 0.8439598E-05 7 0.1905913E-05 8 0.1053198E-06 9 0.1545528E-08 v, j, mj = 0 5 -5 0 0.8236210E-06 1 0.3414023E-06 2 0.1168686E-04 3 0.1093832E-03 4 0.6256276E-04 5 0.1376446E-04 6 0.1455431E-05 7 0.4663493E-07 8 0.3313701E-08 9 0.9947378E-09 v, j, mj = 0 5 -4 0 0.2182015E-12 1 0.4501701E-05 2 0.3001754E-03 3 0.6526717E-03 4 0.1029963E-03 5 0.6831668E-05 6 0.2824321E-06 7 0.1506723E-07 8 0.3533752E-08 9 0.1014871E-08 v, j, mj = 0 5 -3 0 0.4988076E-11 1 0.7948278E-04 2 0.2775401E-02 3 0.1335214E-02 4 0.6903630E-04 5 0.9479400E-06 6 0.1096441E-06 7 0.9013864E-08 8 0.5284738E-08 9 0.5508112E-09 v, j, mj = 0 5 -2 0 0.8868980E-06 1 0.1086741E-02 2 0.5748016E-02 3 0.1729526E-02 4 0.1893690E-03 5 0.1483968E-05 6 0.1926906E-06 7 0.7800050E-08 8 0.1186998E-08 9 0.4611110E-09 v, j, mj = 0 5 -1 0 0.2149254E-10 1 0.9598381E-02 2 0.8066814E-02 3 0.5325131E-02 4 0.1928407E-03 5 0.7956767E-06 6 0.2941141E-06 7 0.1147139E-07 8 0.5584899E-08 9 0.9313889E-09 v, j, mj = 0 5 0 0 0.5887512E-12 1 0.2166311E-01 2 0.1498361E-01 3 0.4401589E-02 4 0.2092105E-03 5 0.1824950E-05 6 0.9253891E-07 7 0.2852012E-07 8 0.2080812E-08 9 0.1165000E-08 v, j, mj = 0 5 1 0 0.2339482E-01 1 0.1656050E-01 2 0.1816522E-02 3 0.2864977E-02 4 0.2178754E-03 5 0.8531559E-05 6 0.7402999E-06 7 0.4343518E-07 8 0.2044456E-08 9 0.3292388E-09 v, j, mj = 0 5 2 0 0.2137528E-12 1 0.7152834E-02 2 0.7682060E-02 3 0.1610275E-02 4 0.8304812E-04 5 0.3178966E-05 6 0.2211946E-06 7 0.7979186E-08 8 0.6099204E-08 9 0.1637490E-08 v, j, mj = 0 5 3 0 0.2128179E-11 1 0.3629601E-02 2 0.3734695E-02 3 0.2294685E-02 4 0.1622981E-03 5 0.1981427E-04 6 0.2013416E-05 7 0.9695402E-07 8 0.3739035E-08 9 0.4523529E-09 v, j, mj = 0 5 4 0 0.4825780E-06 1 0.4117319E-03 2 0.2059298E-02 3 0.1556419E-02 4 0.2102157E-03 5 0.1951311E-04 6 0.9792742E-06 7 0.2027521E-07 8 0.4202643E-08 9 0.8186099E-09 v, j, mj = 0 5 5 0 0.5465658E-12 1 0.1054014E-04 2 0.2947522E-03 3 0.6088176E-03 4 0.2822119E-03 5 0.6624953E-04 6 0.7500208E-05 7 0.2255929E-06 8 0.2354417E-08 9 0.2269773E-08 v, j, mj = 0 7 -7 0 0.2821669E-13 1 0.6740557E-07 2 0.3532743E-07 3 0.8071141E-07 4 0.4503241E-07 5 0.5972781E-08 6 0.1223481E-08 7 0.1703400E-08 8 0.6470184E-09 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1313574E-13 1 0.9899208E-07 2 0.6968407E-07 3 0.6748453E-06 4 0.5077091E-06 5 0.7189744E-07 6 0.1106524E-07 7 0.5022453E-08 8 0.3490576E-08 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2594645E-07 1 0.3114502E-06 2 0.4010280E-05 3 0.2121392E-04 4 0.7656012E-05 5 0.4839725E-06 6 0.1702710E-07 7 0.3836659E-08 8 0.3694149E-09 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.4071977E-13 1 0.5802653E-06 2 0.1647146E-03 3 0.2118553E-03 4 0.1739683E-04 5 0.2422309E-06 6 0.1808201E-07 7 0.4555224E-08 8 0.1910686E-08 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.2293421E-11 1 0.2429206E-03 2 0.1433043E-02 3 0.2064284E-03 4 0.4722592E-05 5 0.2707171E-06 6 0.3243659E-07 7 0.3697537E-08 8 0.1180774E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.2847053E-06 1 0.2895978E-03 2 0.8179126E-03 3 0.1241614E-03 4 0.2373849E-04 5 0.4341482E-06 6 0.8094172E-08 7 0.3362590E-08 8 0.1274135E-08 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2587898E-10 1 0.4987341E-01 2 0.1520589E-02 3 0.6325092E-03 4 0.9651754E-05 5 0.5201526E-06 6 0.6141547E-07 7 0.1179579E-07 8 0.1061644E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.9739963E-13 1 0.1169192E-01 2 0.1344920E-02 3 0.1882642E-03 4 0.3813166E-04 5 0.5725177E-06 6 0.1361250E-07 7 0.3447856E-08 8 0.8416257E-09 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.4732099E+00 1 0.1934409E-01 2 0.1844296E-01 3 0.7802109E-03 4 0.1273738E-03 5 0.1594664E-05 6 0.1933729E-07 7 0.2506422E-08 8 0.3289056E-09 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1272488E-12 1 0.9092792E-01 2 0.5004467E-02 3 0.2460777E-02 4 0.2774319E-04 5 0.2377493E-05 6 0.5108444E-07 7 0.1101268E-07 8 0.1308345E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.2697191E-10 1 0.3618689E-01 2 0.1823874E-01 3 0.4345359E-03 4 0.2290381E-03 5 0.6646062E-05 6 0.7650712E-07 7 0.4251077E-08 8 0.2013393E-09 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.3156838E-05 1 0.4840911E-02 2 0.1823390E-01 3 0.3696856E-02 4 0.1292914E-03 5 0.6422167E-05 6 0.1230717E-06 7 0.3654966E-08 8 0.4831299E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.4580562E-11 1 0.2607832E-04 2 0.3129794E-02 3 0.3132269E-02 4 0.5006692E-03 5 0.2346974E-04 6 0.3426942E-06 7 0.6943722E-08 8 0.4940548E-09 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1007025E-12 1 0.3571752E-05 2 0.2336151E-03 3 0.7461413E-03 4 0.3244355E-03 5 0.2745297E-04 6 0.2964436E-06 7 0.1765095E-07 8 0.7304085E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.9435878E-07 1 0.3864088E-07 2 0.8005502E-05 3 0.8067808E-04 4 0.6917381E-04 5 0.9557882E-05 6 0.2001246E-06 7 0.8618763E-08 8 0.1306468E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2139035E-16 1 0.1582823E-10 2 0.7771524E-10 3 0.5732884E-10 4 0.1332968E-09 5 0.8415742E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2843358E-10 1 0.1559006E-09 2 0.1992925E-09 3 0.1044648E-09 4 0.4821007E-09 5 0.5992171E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.5763133E-16 1 0.3653897E-09 2 0.3298627E-09 3 0.7441665E-09 4 0.1218878E-09 5 0.5928814E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4799786E-16 1 0.6455085E-08 2 0.2612290E-08 3 0.1806470E-08 4 0.2942592E-09 5 0.1309527E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.8117393E-07 1 0.1408110E-07 2 0.7375192E-07 3 0.6269839E-08 4 0.1929526E-08 5 0.7391489E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1045741E-15 1 0.1101631E-08 2 0.7017475E-07 3 0.3978665E-07 4 0.6331107E-08 5 0.5608972E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.5730810E-15 1 0.2048082E-06 2 0.7381701E-06 3 0.1005426E-06 4 0.2917282E-07 5 0.2948470E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1158138E-07 1 0.2878342E-05 2 0.4838818E-05 3 0.8868524E-07 4 0.7896064E-07 5 0.1188708E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2900067E-13 1 0.5276623E-04 2 0.2158433E-04 3 0.5052988E-06 4 0.9756697E-07 5 0.8182372E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.4402362E-15 1 0.1421327E-03 2 0.2179348E-04 3 0.2552892E-06 4 0.2648806E-07 5 0.3835407E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2576881E-02 1 0.1564543E-02 2 0.3178950E-04 3 0.1695780E-06 4 0.2504269E-06 5 0.9924458E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.6486140E-15 1 0.8423845E-03 2 0.3847710E-04 3 0.9013717E-06 4 0.3820008E-07 5 0.1126402E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.5031345E-13 1 0.4426844E-05 2 0.9699701E-05 3 0.4367911E-06 4 0.3131753E-07 5 0.8037430E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.7696668E-08 1 0.2219786E-05 2 0.6146637E-05 3 0.7760330E-06 4 0.2401784E-07 5 0.2720367E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.9567582E-14 1 0.3350325E-06 2 0.1020804E-05 3 0.3026535E-06 4 0.3256050E-07 5 0.6417958E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.3675301E-15 1 0.1100547E-06 2 0.6202458E-07 3 0.6605677E-07 4 0.1028462E-07 5 0.8518171E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.5493374E-07 1 0.1697095E-07 2 0.1521241E-07 3 0.2286213E-07 4 0.3513292E-08 5 0.1578160E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1025664E-15 1 0.4266717E-07 2 0.1593294E-07 3 0.2274978E-07 4 0.3542533E-08 5 0.2069445E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1279603E-14 1 0.4823120E-08 2 0.4032660E-08 3 0.5209521E-08 4 0.2632795E-08 5 0.1528617E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1380225E-12 1 0.1172259E-03 2 0.3038665E-03 3 0.1297414E-03 4 0.1627380E-04 5 0.3502319E-06 6 0.2202323E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.4265801E-13 1 0.2088858E-03 2 0.1960965E-03 3 0.1136562E-04 4 0.5466836E-06 5 0.6288766E-07 6 0.2223110E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.6093292E-04 1 0.4259660E-04 2 0.2668270E-04 3 0.8453903E-04 4 0.2396584E-04 5 0.6910163E-06 6 0.5958479E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.9706523E-14 1 0.1038407E-06 2 0.1628078E-05 3 0.1051934E-05 4 0.3317088E-07 5 0.3303642E-08 6 0.8023307E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.4138981E-08 1 0.3647032E-05 2 0.2017818E-04 3 0.4576026E-05 4 0.1099752E-06 5 0.4437559E-08 6 0.1196945E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.9877132E-14 1 0.4020677E-04 2 0.6503986E-04 3 0.2411502E-04 4 0.1624872E-05 5 0.2283700E-07 6 0.1316553E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.7622927E-14 1 0.1803515E-04 2 0.6469504E-04 3 0.9062951E-05 4 0.2438950E-06 5 0.2681300E-07 6 0.3075202E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.3371712E-03 1 0.3211293E-03 2 0.1658397E-04 3 0.2968276E-04 4 0.2686989E-05 5 0.5271666E-07 6 0.4007569E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1063477E-14 1 0.3596296E-03 2 0.2453586E-03 3 0.1154018E-04 4 0.3464821E-07 5 0.6963265E-08 6 0.4156036E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.5313028E-13 1 0.1847383E-03 2 0.6624130E-03 3 0.1927069E-03 4 0.6822749E-05 5 0.2929289E-07 6 0.4752306E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.4058439E-09 1 0.4121868E-09 2 0.6005928E-09 3 0.1008319E-08 4 0.8443185E-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 -4 0 0.5036652E-17 1 0.5303848E-09 2 0.4484132E-09 3 0.8475000E-09 4 0.3344489E-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 -3 0 0.1548353E-16 1 0.1248386E-08 2 0.4458500E-08 3 0.1260966E-08 4 0.5109379E-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 0.8451354E-09 1 0.1915717E-08 2 0.2565854E-07 3 0.1418927E-07 4 0.2031921E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.4743635E-16 1 0.6778405E-07 2 0.3458700E-07 3 0.1378492E-07 4 0.7374512E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.3259283E-16 1 0.1775843E-06 2 0.8146443E-08 3 0.1647697E-07 4 0.9568493E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.1244786E-04 1 0.1436311E-04 2 0.4388640E-06 3 0.9162805E-07 4 0.1570665E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.9760656E-18 1 0.3677105E-05 2 0.1246631E-05 3 0.4342171E-07 4 0.2203397E-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 3 0 0.1697365E-15 1 0.4185810E-06 2 0.6410853E-06 3 0.3662828E-07 4 0.5253960E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.4627144E-09 1 0.7196066E-08 2 0.1995740E-07 3 0.9272539E-08 4 0.4477603E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.4716088E-16 1 0.2671358E-08 2 0.1174041E-07 3 0.7588720E-08 4 0.5440312E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0012371 average vibrational energy (ev) = 0.001976 average rotational energy (ev) = 0.340099 average diffraction energy (ev) = 0.009664 the reaction probability = -0.1237094D-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 0.9925631E+00 0.1527066E-01 0.3317712E+00 1 0.1049797E-01 0.2932038E-01 0.7283671E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1578127E-02 0 26 1 0 0.1918687E-01 0 31 1 1 0.1447738E-02 0 13 3 -3 0.2541691E-03 0 17 3 -2 0.1473070E-02 0 22 3 -1 0.1020510E-01 0 27 3 0 0.2980257E-01 0 32 3 1 0.7902510E-02 0 36 3 2 0.3890250E-02 0 40 3 3 0.1684692E-02 0 7 5 -5 0.5479091E-03 0 10 5 -4 0.2769321E-02 0 14 5 -3 0.8615418E-02 0 18 5 -2 0.1472347E-01 0 23 5 -1 0.3901421E-01 0 28 5 0 0.5810887E-01 0 33 5 1 0.4149562E-01 0 37 5 2 0.1744391E-01 0 41 5 3 0.1213312E-01 0 44 5 4 0.4590098E-02 0 47 5 5 0.1327678E-02 0 3 7 -7 0.1892313E-05 0 5 7 -6 0.1674124E-04 0 8 7 -5 0.2209307E-03 0 11 7 -4 0.1624035E-02 0 15 7 -3 0.4630346E-02 0 19 7 -2 0.2804066E-02 0 24 7 -1 0.6820185E-01 0 29 7 0 0.1697482E-01 0 34 7 1 0.3605810E+00 0 38 7 2 0.1063361E+00 0 42 7 3 0.6565589E-01 0 45 7 4 0.4749882E-01 0 48 7 5 0.1801747E-01 0 50 7 6 0.5206459E-02 0 52 7 7 0.1367957E-02 0 1 9 -9 0.9138092E-09 0 2 9 -8 0.3323464E-08 0 4 9 -7 0.6871353E-08 0 6 9 -6 0.2259965E-07 0 9 9 -5 0.1615120E-06 0 12 9 -4 0.1120534E-05 0 16 9 -3 0.1709810E-05 0 20 9 -2 0.5046287E-04 0 25 9 -1 0.4141609E-03 0 30 9 0 0.5241498E-03 0 35 9 1 0.1082531E-01 0 39 9 2 0.3228829E-02 0 43 9 3 0.1155429E-03 0 46 9 4 0.5296106E-04 0 49 9 5 0.1389537E-04 0 51 9 6 0.1082412E-05 0 53 9 7 0.2933570E-06 0 54 9 8 0.2064358E-06 0 55 9 9 0.1075704E-06 1 21 1 -1 0.3628410E-03 1 26 1 0 0.1857287E-02 1 31 1 1 0.2420224E-03 1 13 3 -3 0.2240814E-03 1 17 3 -2 0.2684788E-03 1 22 3 -1 0.4829564E-03 1 27 3 0 0.9591820E-03 1 32 3 1 0.1048053E-02 1 36 3 2 0.1078701E-02 1 40 3 3 0.3685461E-02 1 7 5 -5 0.1435517E-07 1 10 5 -4 0.1931216E-07 1 14 5 -3 0.2645200E-06 1 18 5 -2 0.2827833E-05 1 23 5 -1 0.6393695E-05 1 28 5 0 0.1157494E-04 1 33 5 1 0.1593711E-03 1 37 5 2 0.7068009E-04 1 41 5 3 0.3683966E-04 1 44 5 4 0.8753602E-06 1 47 5 5 0.4375312E-07 1 3 7 -7 0.1804169E-16 1 5 7 -6 0.1349921E-17 1 8 7 -5 0.2785399E-11 1 11 7 -4 0.6931213E-19 1 15 7 -3 0.9881299E-18 1 19 7 -2 0.3550677E-11 1 24 7 -1 0.1934933E-17 1 29 7 0 0.1660421E-18 1 34 7 1 0.9687308E-09 1 38 7 2 0.1692683E-18 1 42 7 3 0.4074066E-17 1 45 7 4 0.9567064E-11 1 48 7 5 0.3084228E-17 1 50 7 6 0.6096777E-18 1 52 7 7 0.5239635E-11 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 0.4207542E-11 1 0.1690847E-03 2 0.1096578E-02 3 0.1820502E-03 4 0.7855107E-04 5 0.2041174E-04 6 0.1824611E-04 7 0.1102667E-04 8 0.2103407E-05 9 0.7468082E-07 v, j, mj = 0 1 0 0 0.9999807E-14 1 0.3209802E-02 2 0.1292887E-01 3 0.2502169E-02 4 0.3972264E-03 5 0.1205560E-03 6 0.2477502E-04 7 0.3240642E-05 8 0.2266674E-06 9 0.7451428E-08 v, j, mj = 0 1 1 0 0.6074079E-03 1 0.4430402E-03 2 0.2006814E-03 3 0.8340191E-04 4 0.6241333E-04 5 0.2765405E-04 6 0.1004881E-04 7 0.1022940E-04 8 0.2752562E-05 9 0.1084935E-06 v, j, mj = 0 3 -3 0 0.1693657E-11 1 0.1259563E-04 2 0.1430791E-03 3 0.7119870E-04 4 0.9343091E-05 5 0.8408723E-05 6 0.6996890E-05 7 0.2281348E-05 8 0.2602706E-06 9 0.5393558E-08 v, j, mj = 0 3 -2 0 0.2286166E-06 1 0.2209374E-03 2 0.1001829E-02 3 0.1220276E-03 4 0.6393045E-04 5 0.4957820E-04 6 0.1320751E-04 7 0.1255064E-05 8 0.7587674E-07 9 0.7276589E-09 v, j, mj = 0 3 -1 0 0.2805726E-10 1 0.1378349E-02 2 0.7027372E-02 3 0.1411450E-02 4 0.3027539E-03 5 0.6872653E-04 6 0.1361967E-04 7 0.2540688E-05 8 0.2816808E-06 9 0.4969846E-08 v, j, mj = 0 3 0 0 0.2254618E-11 1 0.3834986E-02 2 0.2184575E-01 3 0.3834855E-02 4 0.2731106E-03 5 0.9338968E-05 6 0.3470123E-05 7 0.9778707E-06 8 0.7772929E-07 9 0.2415673E-08 v, j, mj = 0 3 1 0 0.8050193E-03 1 0.6312523E-02 2 0.1782866E-03 3 0.3594067E-03 4 0.1503645E-03 5 0.6704445E-04 6 0.2501076E-04 7 0.4411849E-05 8 0.4316281E-06 9 0.1175669E-07 v, j, mj = 0 3 2 0 0.3769154E-12 1 0.2766412E-02 2 0.7728691E-03 3 0.2342248E-03 4 0.4419795E-04 5 0.5642614E-04 6 0.1397890E-04 7 0.1999490E-05 8 0.1407459E-06 9 0.5792746E-09 v, j, mj = 0 3 3 0 0.6592108E-11 1 0.7871054E-03 2 0.6873114E-03 3 0.7040246E-04 4 0.6332103E-04 5 0.4911576E-04 6 0.2099464E-04 7 0.5847545E-05 8 0.5844706E-06 9 0.8822368E-08 v, j, mj = 0 5 -5 0 0.4641440E-05 1 0.2136149E-05 2 0.3756398E-04 3 0.3456289E-03 4 0.1225098E-03 5 0.3011445E-04 6 0.5010373E-05 7 0.2962794E-06 8 0.6650547E-08 9 0.1098397E-08 v, j, mj = 0 5 -4 0 0.1189961E-11 1 0.1889557E-04 2 0.9107348E-03 3 0.1720810E-02 4 0.1075293E-03 5 0.1029373E-04 6 0.9731439E-06 7 0.7844027E-07 8 0.4740552E-08 9 0.1247449E-08 v, j, mj = 0 5 -3 0 0.1861410E-10 1 0.1791915E-03 2 0.6161329E-02 3 0.2192650E-02 4 0.7093462E-04 5 0.1010793E-04 6 0.1101405E-05 7 0.9439447E-07 8 0.8289951E-08 9 0.9542038E-09 v, j, mj = 0 5 -2 0 0.1855284E-05 1 0.1848401E-02 2 0.9216319E-02 3 0.3229051E-02 4 0.4056972E-03 5 0.2082245E-04 6 0.1258703E-05 7 0.6454251E-07 8 0.4446809E-08 9 0.4839518E-09 v, j, mj = 0 5 -1 0 0.7040011E-10 1 0.1243271E-01 2 0.1474305E-01 3 0.1130838E-01 4 0.5219382E-03 5 0.7184732E-05 6 0.8281796E-06 7 0.1135650E-06 8 0.6408300E-08 9 0.1053550E-08 v, j, mj = 0 5 0 0 0.5576034E-12 1 0.1934491E-01 2 0.2896645E-01 3 0.9460022E-02 4 0.3238258E-03 5 0.1330519E-04 6 0.3190623E-06 7 0.3517408E-07 8 0.4534394E-08 9 0.7150025E-09 v, j, mj = 0 5 1 0 0.8428314E-02 1 0.2493568E-01 2 0.1061465E-02 3 0.6872864E-02 4 0.1742180E-03 5 0.2118937E-04 6 0.1709573E-05 7 0.1775165E-06 8 0.5104369E-08 9 0.6896364E-09 v, j, mj = 0 5 2 0 0.6538971E-12 1 0.5899438E-02 2 0.9588875E-02 3 0.1778340E-02 4 0.1568376E-03 5 0.1791166E-04 6 0.2341201E-05 7 0.1594218E-06 8 0.1013689E-07 9 0.9859302E-09 v, j, mj = 0 5 3 0 0.3481594E-11 1 0.5798531E-02 2 0.3071246E-02 3 0.3031209E-02 4 0.1796844E-03 5 0.4511490E-04 6 0.6788632E-05 7 0.5350294E-06 8 0.1288728E-07 9 0.7883899E-09 v, j, mj = 0 5 4 0 0.1322541E-05 1 0.8234358E-03 2 0.2374829E-02 3 0.1205668E-02 4 0.1247893E-03 5 0.5132929E-04 6 0.8475978E-05 7 0.2389991E-06 8 0.8202221E-08 9 0.1137713E-08 v, j, mj = 0 5 5 0 0.4726235E-11 1 0.1492716E-04 2 0.4419035E-03 3 0.5891961E-03 4 0.1823733E-03 5 0.8092450E-04 6 0.1734873E-04 7 0.9871998E-06 8 0.1622666E-07 9 0.1451337E-08 v, j, mj = 0 7 -7 0 0.1962256E-12 1 0.2347494E-06 2 0.5533841E-07 3 0.4585081E-06 4 0.8469401E-06 5 0.2756574E-06 6 0.1653968E-07 7 0.3253953E-08 8 0.1325978E-08 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.7402679E-13 1 0.9796491E-07 2 0.3752061E-06 3 0.7695590E-05 4 0.7590055E-05 5 0.9398455E-06 6 0.3433521E-07 7 0.5794969E-08 8 0.2445628E-08 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2416253E-06 1 0.7048551E-06 2 0.2745853E-04 3 0.1508382E-03 4 0.3937934E-04 5 0.2264258E-05 6 0.3557940E-07 7 0.7209720E-08 8 0.1045745E-08 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.2995292E-12 1 0.4578864E-05 2 0.7577921E-03 3 0.8325011E-03 4 0.2887167E-04 5 0.2403790E-06 6 0.4360407E-07 7 0.5647453E-08 8 0.1159117E-08 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1149067E-10 1 0.5360871E-03 2 0.3715117E-02 3 0.3537260E-03 4 0.2421701E-04 5 0.1146205E-05 6 0.4741801E-07 7 0.3938280E-08 8 0.1828196E-08 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.4974003E-06 1 0.5787238E-03 2 0.1300828E-02 3 0.8613100E-03 4 0.6221092E-04 5 0.4742628E-06 6 0.1684302E-07 7 0.3168723E-08 8 0.1764613E-08 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.9857019E-10 1 0.5906711E-01 2 0.7567059E-02 3 0.1478723E-02 4 0.8835111E-04 5 0.5475035E-06 6 0.3932764E-07 7 0.1630183E-07 8 0.2602646E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2076838E-12 1 0.1130825E-01 2 0.4642533E-02 3 0.8913955E-03 4 0.1323805E-03 5 0.2378563E-06 6 0.2144435E-07 7 0.3685452E-08 8 0.9884801E-09 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2893899E+00 1 0.6321645E-01 2 0.4745893E-02 3 0.3181281E-02 4 0.4500091E-04 5 0.2483476E-05 6 0.4171598E-07 7 0.3833246E-08 8 0.5718695E-09 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.4262846E-12 1 0.7832743E-01 2 0.2667264E-01 3 0.1166279E-02 4 0.1617737E-03 5 0.7799901E-05 6 0.1310816E-06 7 0.8104248E-08 8 0.2849890E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1094281E-09 1 0.5075190E-01 2 0.1041487E-01 3 0.4160702E-02 4 0.3131340E-03 5 0.1482306E-04 6 0.4526223E-06 7 0.5231378E-08 8 0.1211224E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.8767061E-05 1 0.1151720E-01 2 0.3325413E-01 3 0.2449278E-02 4 0.2409103E-03 5 0.2801557E-04 6 0.5003781E-06 7 0.1667320E-07 8 0.2970764E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2782757E-10 1 0.1298699E-03 2 0.1058584E-01 3 0.6465359E-02 4 0.7634624E-03 5 0.7051864E-04 6 0.2385839E-05 7 0.2990023E-07 8 0.1592342E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.7364975E-12 1 0.2230671E-04 2 0.1146205E-02 3 0.2829365E-02 4 0.1059102E-02 5 0.1444846E-03 6 0.4887175E-05 7 0.1034500E-06 8 0.4405908E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1067118E-05 1 0.1278119E-05 2 0.6507580E-04 3 0.6117205E-03 4 0.5618978E-03 5 0.1215996E-03 6 0.5256255E-05 7 0.5846418E-07 8 0.3551110E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.2919992E-15 1 0.2457940E-10 2 0.1752699E-09 3 0.3069257E-09 4 0.1115448E-09 5 0.1652645E-09 6 0.1302246E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2110750E-09 1 0.2325160E-09 2 0.1024520E-08 3 0.5155675E-09 4 0.9903963E-09 5 0.2187491E-09 6 0.1306400E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.5235619E-16 1 0.9810978E-09 2 0.1766812E-08 3 0.3040704E-08 4 0.6019164E-09 5 0.3350446E-09 6 0.1457781E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.5933916E-15 1 0.4708348E-08 2 0.1114668E-07 3 0.4488207E-08 4 0.1526570E-08 5 0.6326579E-09 6 0.9718305E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1594921E-07 1 0.3922544E-07 2 0.6102028E-07 3 0.3215395E-07 4 0.1020030E-07 5 0.2585567E-08 6 0.3772775E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.6372040E-17 1 0.7559476E-07 2 0.5778164E-06 3 0.4291598E-06 4 0.3053070E-07 5 0.6755432E-08 6 0.6772483E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.2447489E-13 1 0.5854972E-06 2 0.7010694E-06 3 0.3347609E-06 4 0.7620840E-07 5 0.1141747E-07 6 0.8566121E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.5767271E-07 1 0.1803831E-04 2 0.3146230E-04 3 0.7279263E-06 4 0.1277998E-06 5 0.4235567E-07 6 0.6504718E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.3460210E-12 1 0.3071447E-03 2 0.1060434E-03 3 0.8382221E-06 4 0.1112160E-06 5 0.1761616E-07 6 0.5803463E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.1631455E-14 1 0.4830172E-03 2 0.4051451E-04 3 0.4197307E-06 4 0.1543168E-06 5 0.4013593E-07 6 0.3906823E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.7455494E-02 1 0.3299924E-02 2 0.6455086E-04 3 0.4925157E-05 4 0.3665288E-06 5 0.4666696E-07 6 0.3066542E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1886239E-15 1 0.3116094E-02 2 0.1003558E-03 3 0.1193374E-04 4 0.3152882E-06 5 0.1180993E-06 6 0.1191420E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.6332512E-12 1 0.2671208E-04 2 0.8454045E-04 3 0.4132041E-05 4 0.1395370E-06 5 0.1639532E-07 6 0.2402350E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.1768444E-07 1 0.1553727E-04 2 0.3341386E-04 3 0.3903544E-05 4 0.7380484E-07 5 0.1283432E-07 6 0.2067290E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1735116E-12 1 0.2350896E-05 2 0.8891871E-05 3 0.2561056E-05 4 0.7486295E-07 5 0.1529358E-07 6 0.1385101E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.5742044E-14 1 0.3109735E-06 2 0.2918726E-06 3 0.4181234E-06 4 0.5266190E-07 5 0.7727029E-08 6 0.1053567E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.6244769E-07 1 0.3014528E-07 2 0.1149912E-06 3 0.6497966E-07 4 0.1815770E-07 5 0.1765893E-08 6 0.8695805E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1560811E-14 1 0.9177213E-07 2 0.6125974E-07 3 0.3366644E-07 4 0.1488399E-07 5 0.4019478E-08 6 0.8340544E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1709562E-14 1 0.2032937E-07 2 0.5353899E-07 3 0.1989665E-07 4 0.6420372E-08 5 0.5030155E-08 6 0.2354830E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.4395085E-12 1 0.1371641E-03 2 0.1652255E-03 3 0.3990428E-04 4 0.1880775E-04 5 0.1721526E-05 6 0.1685222E-07 7 0.9894571E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.5168486E-13 1 0.1031596E-02 2 0.7199193E-03 3 0.1017977E-03 4 0.3919425E-05 5 0.4395281E-07 6 0.8164700E-08 7 0.2364818E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.7794621E-04 1 0.4192058E-04 2 0.7060875E-05 3 0.4386401E-04 4 0.6246571E-04 5 0.8650198E-05 6 0.1134504E-06 7 0.1354029E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1307422E-12 1 0.3429607E-05 2 0.1004905E-03 3 0.1073960E-03 4 0.1253779E-04 5 0.2258222E-06 6 0.1667701E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.4701448E-07 1 0.3332478E-04 2 0.1824353E-03 3 0.5086260E-04 4 0.1786460E-05 5 0.2098164E-07 6 0.1644241E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.3626341E-12 1 0.2235994E-03 2 0.2386438E-03 3 0.1818395E-04 4 0.2422246E-05 5 0.1051309E-06 6 0.1930417E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.3046353E-13 1 0.5169151E-04 2 0.7678794E-03 3 0.1362649E-03 4 0.3318978E-05 5 0.2269269E-07 6 0.4534691E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.5995541E-03 1 0.2772842E-03 2 0.1354673E-03 3 0.2742553E-04 4 0.7794385E-05 5 0.5157231E-06 6 0.1141856E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.4390891E-14 1 0.6682106E-03 2 0.3687158E-03 3 0.3932551E-04 4 0.2379187E-05 5 0.6603477E-07 6 0.4139702E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.5232803E-12 1 0.3273817E-03 2 0.1751503E-02 3 0.1413888E-02 4 0.1895607E-03 5 0.3115707E-05 6 0.1147184E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1687267E-09 1 0.3420344E-08 2 0.3872671E-08 3 0.5329311E-08 4 0.1338666E-08 5 0.2254487E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.6557954E-15 1 0.5591255E-08 2 0.6695769E-08 3 0.6109531E-08 4 0.8373293E-09 5 0.7827659E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.2812139E-14 1 0.1254611E-07 2 0.1651615E-06 3 0.8312077E-07 4 0.3285768E-08 5 0.4058758E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.3855785E-08 1 0.2012856E-06 2 0.2130523E-05 3 0.4788439E-06 4 0.1305746E-07 5 0.2672710E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.2939170E-14 1 0.2368145E-05 2 0.3578818E-05 3 0.4122465E-06 4 0.3403108E-07 5 0.4553513E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.3451242E-15 1 0.1642563E-05 2 0.8304854E-05 3 0.1605230E-05 4 0.1838680E-07 5 0.3902603E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.8587024E-04 1 0.6971859E-04 2 0.2951150E-05 3 0.8084310E-06 4 0.2223718E-07 5 0.4059316E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.1009851E-15 1 0.5044425E-04 2 0.1931699E-04 3 0.8910123E-06 4 0.2742644E-07 5 0.4082549E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1247345E-13 1 0.9991136E-05 2 0.2167592E-04 3 0.5031213E-05 4 0.1408240E-06 5 0.5629908E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.3800429E-08 1 0.1724171E-06 2 0.6380980E-06 3 0.5628644E-07 4 0.4416003E-08 5 0.3422901E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.6677732E-14 1 0.5262423E-08 2 0.2094428E-07 3 0.6079742E-08 4 0.1056043E-07 5 0.9062460E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.1804169E-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 7 -6 0 0.1349921E-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 0.2785399E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -4 0 0.6931213E-19 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -3 0 0.9881299E-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 0.3550677E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -1 0 0.1934933E-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 0 0 0.1660421E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 1 0 0.9687308E-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 2 0 0.1692683E-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 3 0 0.4074066E-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 4 0 0.9567064E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 5 0 0.3084228E-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 0.6096777E-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 7 0 0.5239635E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0030611 average vibrational energy (ev) = 0.005332 average rotational energy (ev) = 0.329061 average diffraction energy (ev) = 0.015418 the reaction probability = -0.3061119D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 94572.6463 (a) ... Propagating the wavefunction 92628.5091 (b) Setup time 1724.2161 Saving the wave function for rerun 46.0207 Calculating averages 4.7686 Calculating and saving BK-coeffs 16.1719 Asymptotic analysis 4.3625 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 94424.0489 (a) ... FFTs along X and Y 4347.7914 Kinetic energy operation along Z 25939.2407 Kinetic energy operation along r 19570.0763 Potential energy multiplication 11226.8671 Legengre transforms 25279.2492 Shifting the wavefunction 2171.0707 Kinetic energy multiplications (xy) 442.7444 Absorbing the wavefunction 518.8973 Projection formalism 17.0681 Operations on specular grid 0.1707 ----------------------------------------------------- Sum 89513.1759 (b) ... Potential initialisation time 0.0000 Potential setup time 1701.2628 FFTs along X 2270.1608 FFTs along Y 2077.6305 Time spent on FGH for asympwf 0.4326 Ending date and time: Sat Aug 10 08:58:46 CEST 2019