Starting date and time: Sat Aug 10 12:36:08 CEST 2019 Calculation run on nodes/processors: *** SPO-DVR program version 5.16 (Compiled using IFORT for X86 on Jul 5 2019 at 10:16:08) run on 20190810 at 123608.216 *** * 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: v0j7mj7-0.15eV-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: 7 * 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: 7 * 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 = 7 ... *** 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 = 0.24080276E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 13 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 143 iz = 146 iz = 145 iz = 150 iz = 149 iz = 154 iz = 153 iz = 158 iz = 157 iz = 162 iz = 161 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_25_25. pes WARNING in routine SetupThePES in module Potential: vdvr contains more indices than can be represented by a four byte integer. Therefore the result of the inquiry 'SIZE(vdvr)' will be wrong! Program continues with dirty trick fix. Beware! * Imposing a maximum on the potential; vmax (eV) = 0.10000000E+02 Total time setting up the potential = 0.17614503E+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 = 252 ******************************************************************************** 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 = 13822 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 10 * Maximum v in analysis: nviba = 2 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.51909677 0.10000000E+01 0.50000000E+02 0.99999999 17.27377086 1.51910328 0.99999998E+00 0.10000000E+03 0.99999997 17.14754172 1.51910988 0.99999995E+00 0.15000000E+03 0.99999996 17.02131258 1.51911097 0.99999979E+00 0.20000000E+03 0.99999994 16.89508344 1.51911064 0.99999852E+00 0.25000000E+03 0.99999993 16.76885430 1.51910928 0.99998982E+00 0.30000000E+03 0.99999991 16.64262516 1.51910374 0.99993928E+00 0.35000000E+03 0.99999990 16.51639602 1.51909728 0.99969720E+00 0.40000000E+03 0.99999989 16.39016687 1.51910212 0.99874786E+00 0.45000000E+03 0.99999987 16.26393773 1.51911063 0.99569670E+00 0.50000000E+03 0.99999986 16.13770858 1.51911134 0.98760718E+00 0.55000000E+03 0.99999984 16.01147941 1.51911033 0.96972254E+00 0.60000000E+03 0.99999983 15.88525016 1.51910874 0.93629614E+00 0.65000000E+03 0.99999982 15.75902072 1.51910394 0.88265990E+00 0.70000000E+03 0.99999980 15.63279086 1.51909801 0.80756267E+00 0.75000000E+03 0.99999979 15.50656013 1.51910108 0.71431857E+00 0.80000000E+03 0.99999977 15.38032789 1.51911102 0.61003002E+00 0.85000000E+03 0.99999976 15.25409318 1.51911191 0.50340984E+00 0.90000000E+03 0.99999974 15.12785481 1.51911005 0.40241934E+00 0.95000000E+03 0.99999973 15.00161134 1.51910821 0.31270928E+00 0.10000000E+04 0.99999972 14.87536121 1.51910400 0.23716175E+00 0.10500000E+04 0.99999970 14.74910281 1.51909869 0.17627132E+00 0.11000000E+04 0.99999969 14.62283452 1.51910060 0.12891002E+00 0.11500000E+04 0.99999967 14.49655481 1.51911059 0.93104762E-01 0.12000000E+04 0.99999966 14.37026219 1.51911326 0.66633374E-01 0.12500000E+04 0.99999964 14.24395526 1.51910961 0.47394712E-01 0.13000000E+04 0.99999963 14.11763263 1.51910834 0.33589145E-01 0.13500000E+04 0.99999962 13.99129291 1.51910494 0.23771128E-01 0.14000000E+04 0.99999960 13.86493462 1.51910117 0.16830006E-01 0.14500000E+04 0.99999959 13.73855615 1.51910394 0.11939071E-01 0.15000000E+04 0.99999957 13.61215570 1.51911570 0.84968626E-02 0.15500000E+04 0.99999956 13.48573121 1.51912372 0.60728900E-02 0.16000000E+04 0.99999954 13.35928036 1.51912375 0.43625363E-02 0.16500000E+04 0.99999953 13.23280046 1.51912848 0.31518925E-02 0.17000000E+04 0.99999952 13.10628849 1.51913411 0.22914450E-02 0.17500000E+04 0.99999950 12.97974107 1.51914118 0.16769328E-02 0.18000000E+04 0.99999949 12.85315443 1.51915562 0.12356812E-02 0.18500000E+04 0.99999947 12.72652448 1.51918077 0.91698044E-03 0.19000000E+04 0.99999946 12.59984679 1.51920591 0.68536703E-03 0.19500000E+04 0.99999944 12.47311667 1.51922326 0.51596027E-03 0.20000000E+04 0.99999943 12.34632917 1.51924471 0.39123491E-03 0.20500000E+04 0.99999942 12.21947914 1.51927130 0.29879160E-03 0.21000000E+04 0.99999940 12.09256129 1.51929810 0.22981294E-03 0.21500000E+04 0.99999939 11.96557015 1.51933277 0.17799611E-03 0.22000000E+04 0.99999937 11.83850016 1.51937667 0.13881056E-03 0.22500000E+04 0.99999936 11.71134565 1.51942192 0.10898069E-03 0.23000000E+04 0.99999935 11.58410087 1.51945857 0.86124902E-04 0.23500000E+04 0.99999933 11.45675997 1.51949554 0.68500178E-04 0.24000000E+04 0.99999932 11.32931704 1.51953948 0.54823692E-04 0.24500000E+04 0.99999930 11.20176608 1.51958224 0.44145463E-04 0.25000000E+04 0.99999929 11.07410106 1.51963052 0.35757793E-04 0.25500000E+04 0.99999927 10.94631592 1.51968674 0.29130383E-04 0.26000000E+04 0.99999926 10.81840461 1.51974421 0.23863581E-04 0.26500000E+04 0.99999925 10.69036114 1.51979263 0.19654244E-04 0.27000000E+04 0.99999923 10.56217963 1.51983831 0.16272056E-04 0.27500000E+04 0.99999922 10.43385442 1.51989122 0.13539868E-04 0.28000000E+04 0.99999920 10.30538019 1.51994444 0.11321408E-04 0.28500000E+04 0.99999919 10.17675203 1.51999984 0.95111157E-05 0.29000000E+04 0.99999917 10.04796567 1.52006410 0.80267830E-05 0.29500000E+04 0.99999916 9.91901761 1.52012901 0.68038385E-05 0.30000000E+04 0.99999915 9.78990535 1.52018696 0.57921034E-05 0.30500000E+04 0.99999913 9.66062766 1.52024001 0.49512946E-05 0.31000000E+04 0.99999912 9.53118481 1.52030126 0.42495686E-05 0.31500000E+04 0.99999910 9.40157892 1.52036705 0.36614941E-05 0.32000000E+04 0.99999909 9.27181430 1.52043433 0.31666871E-05 0.32500000E+04 0.99999908 9.14189776 1.52051325 0.27487418E-05 0.33000000E+04 0.99999906 9.01183910 1.52059776 0.23943846E-05 0.33500000E+04 0.99999905 8.88165144 1.52068104 0.20928173E-05 0.34000000E+04 0.99999903 8.75135172 1.52076584 0.18352243E-05 0.34500000E+04 0.99999902 8.62096110 1.52086682 0.16144045E-05 0.35000000E+04 0.99999900 8.49050544 1.52098725 0.14244760E-05 0.35500000E+04 0.99999899 8.36001572 1.52112412 0.12603796E-05 0.36000000E+04 0.99999897 8.22952849 1.52128958 0.11185958E-05 0.36500000E+04 0.99999896 8.09908627 1.52148783 0.99552166E-06 0.37000000E+04 0.99999894 7.96873790 1.52171428 0.88833846E-06 0.37500000E+04 0.99999893 7.83853890 1.52197938 0.79469809E-06 0.38000000E+04 0.99999891 7.70855177 1.52230229 0.71266131E-06 0.38500000E+04 0.99999888 7.57884615 1.52270023 0.64062026E-06 0.39000000E+04 0.99999884 7.44949906 1.52317718 0.57721996E-06 0.39500000E+04 0.99999878 7.32059497 1.52375268 0.52109654E-06 0.40000000E+04 0.99999868 7.19222578 1.52444688 0.47167004E-06 0.40500000E+04 0.99999851 7.06449082 1.52526652 0.42787061E-06 0.41000000E+04 0.99999822 6.93749672 1.52623260 0.38895279E-06 0.41500000E+04 0.99999775 6.81135715 1.52737630 0.35426514E-06 0.42000000E+04 0.99999698 6.68619252 1.52872781 0.32325128E-06 0.42500000E+04 0.99999575 6.56212961 1.53030497 0.29546213E-06 0.43000000E+04 0.99999383 6.43930109 1.53213012 0.27055115E-06 0.43500000E+04 0.99999091 6.31784488 1.53423288 0.24804328E-06 0.44000000E+04 0.99998654 6.19790363 1.53662611 0.22806458E-06 0.44500000E+04 0.99998016 6.07962393 1.53932357 0.21012650E-06 0.45000000E+04 0.99997101 5.96315559 1.54234984 0.19394093E-06 0.45500000E+04 0.99995816 5.84865083 1.54571952 0.17925686E-06 0.46000000E+04 0.99994044 5.73626349 1.54943289 0.16588756E-06 0.46500000E+04 0.99991643 5.62614815 1.55347858 0.15370323E-06 0.47000000E+04 0.99988447 5.51845933 1.55784730 0.14260135E-06 0.47500000E+04 0.99984262 5.41335080 1.56251026 0.13248438E-06 0.48000000E+04 0.99978868 5.31097494 1.56742399 0.12326008E-06 0.48500000E+04 0.99972019 5.21148221 1.57254646 0.11485078E-06 0.49000000E+04 0.99963449 5.11502083 1.57782321 0.10719122E-06 0.49500000E+04 0.99952877 5.02173656 1.58318004 0.10000814E-06 0.50000000E+04 0.99940010 4.93177252 1.58852917 0.93642602E-07 0.50500000E+04 0.99924557 4.84526906 1.59378175 0.87803130E-07 0.51000000E+04 0.99906235 4.76236362 1.59884504 0.82412085E-07 0.51500000E+04 0.99884786 4.68319046 1.60361762 0.77411111E-07 0.52000000E+04 0.99859988 4.60788033 1.60800830 0.72763353E-07 0.52500000E+04 0.99831670 4.53656004 1.61193310 0.68445222E-07 0.53000000E+04 0.99799725 4.46935201 1.61530719 0.64436502E-07 0.53500000E+04 0.99764122 4.40637370 1.61805428 0.60715566E-07 0.54000000E+04 0.99724914 4.34773677 1.62011695 0.57260724E-07 0.54500000E+04 0.99682248 4.29354602 1.62146407 0.54054775E-07 0.55000000E+04 0.99636362 4.24389783 1.62208737 0.51083133E-07 0.55500000E+04 0.99587589 4.19887829 1.62201464 0.48148740E-07 0.56000000E+04 0.99536349 4.15856079 1.62131504 0.45612999E-07 0.56500000E+04 0.99483143 4.12300352 1.62008659 0.43263372E-07 0.57000000E+04 0.99428535 4.09224680 1.61844499 0.41086599E-07 0.57500000E+04 0.99373144 4.06631108 1.61650664 0.39045334E-07 0.58000000E+04 0.99317618 4.04519602 1.61436237 0.37120691E-07 0.58500000E+04 0.99262621 4.02888149 1.61205096 0.35318499E-07 0.59000000E+04 0.99208804 4.01733060 1.60955094 0.33619520E-07 0.59500000E+04 0.99156785 4.01049464 1.60679837 0.32033064E-07 0.60000000E+04 0.99107128 4.00831889 1.60371545 0.30532203E-07 0.60500000E+04 0.99060326 4.01074780 1.60025760 0.29065219E-07 0.61000000E+04 0.99016785 4.01772806 1.59646176 0.27726795E-07 0.61500000E+04 0.98976813 4.02920860 1.59246614 0.26532858E-07 0.62000000E+04 0.98940615 4.04513755 1.58848615 0.25169846E-07 0.62500000E+04 0.98908293 4.06545724 1.58475017 0.24041831E-07 0.63000000E+04 0.98879849 4.09009934 1.58142111 0.23058510E-07 0.63500000E+04 0.98855185 4.11898208 1.57852879 0.22023518E-07 0.64000000E+04 0.98834122 4.15201094 1.57595140 0.20972248E-07 0.64500000E+04 0.98816406 4.18908273 1.57346660 0.20174976E-07 0.65000000E+04 0.98801729 4.23009164 1.57085149 0.19454258E-07 0.65500000E+04 0.98789746 4.27493476 1.56798810 0.18472516E-07 0.66000000E+04 0.98780096 4.32351512 1.56492362 0.17583795E-07 0.66500000E+04 0.98772424 4.37574093 1.56185326 0.17311633E-07 0.67000000E+04 0.98766387 4.43152162 1.55902879 0.17046725E-07 0.67500000E+04 0.98761680 4.49076264 1.55663613 0.15942051E-07 0.68000000E+04 0.98758030 4.55336116 1.55470846 0.14928997E-07 0.68500000E+04 0.98755210 4.61920474 1.55311560 0.15838428E-07 0.69000000E+04 0.98753031 4.68817332 1.55163162 0.16621082E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16700000E+02 0.69500000E+04 0.98751343 4.76014376 1.55004505 0.15198842E-07 0.70000000E+04 0.98750029 4.83499482 1.54825492 0.14658009E-07 0.70500000E+04 0.98749000 4.91261085 1.54630528 0.19010288E-07 0.71000000E+04 0.98748187 4.99288271 1.54434536 0.24438118E-07 0.71500000E+04 0.98747538 5.07570600 1.54254519 0.25764965E-07 0.72000000E+04 0.98747015 5.16097780 1.54101415 0.29384541E-07 0.72500000E+04 0.98746588 5.24859348 1.53976030 0.46375578E-07 0.73000000E+04 0.98746233 5.33844529 1.53870341 0.73463286E-07 0.73500000E+04 0.98745933 5.43042306 1.53772434 0.98636562E-07 0.74000000E+04 0.98745673 5.52441693 1.53671989 0.12870566E-06 0.74500000E+04 0.98745441 5.62032049 1.53563854 0.19016489E-06 0.75000000E+04 0.98745227 5.71803310 1.53448910 0.29371433E-06 0.75500000E+04 0.98745020 5.81746044 1.53332794 0.42156743E-06 0.76000000E+04 0.98744811 5.91851313 1.53223314 0.56918860E-06 0.76500000E+04 0.98744588 6.02110440 1.53127523 0.77986021E-06 0.77000000E+04 0.98744340 6.12514793 1.53049098 0.11098153E-05 0.77500000E+04 0.98744052 6.23055693 1.52986619 0.15696912E-05 0.78000000E+04 0.98743707 6.33724483 1.52933585 0.21384585E-05 0.78500000E+04 0.98743287 6.44512703 1.52880810 0.28464423E-05 0.79000000E+04 0.98742767 6.55412277 1.52820699 0.38149747E-05 0.79500000E+04 0.98742118 6.66415621 1.52751339 0.51898962E-05 0.80000000E+04 0.98741307 6.77515609 1.52677939 0.70567073E-05 0.80500000E+04 0.98740290 6.88705441 1.52610338 0.94664801E-05 0.81000000E+04 0.98739020 6.99978470 1.52557519 0.12566590E-04 0.81500000E+04 0.98737436 7.11328080 1.52522119 0.16690180E-04 0.82000000E+04 0.98735470 7.22747670 1.52498408 0.22295079E-04 0.82500000E+04 0.98733038 7.34230725 1.52475365 0.29829536E-04 0.83000000E+04 0.98730046 7.45770935 1.52443233 0.39709547E-04 0.83500000E+04 0.98726382 7.57362277 1.52399483 0.52479444E-04 0.84000000E+04 0.98721919 7.68999016 1.52350359 0.69003282E-04 0.84500000E+04 0.98716514 7.80675630 1.52306851 0.90470287E-04 0.85000000E+04 0.98710002 7.92386699 1.52277585 0.11818664E-03 0.85500000E+04 0.98702200 8.04126817 1.52263234 0.15338209E-03 0.86000000E+04 0.98692904 8.15890570 1.52256128 0.19727026E-03 0.86500000E+04 0.98681890 8.27672584 1.52245319 0.25130318E-03 0.87000000E+04 0.98668907 8.39467599 1.52223731 0.31730245E-03 0.87500000E+04 0.98653685 8.51270521 1.52192638 0.39722856E-03 0.88000000E+04 0.98635924 8.63076424 1.52160514 0.49274280E-03 0.88500000E+04 0.98615301 8.74880495 1.52137107 0.60494659E-03 0.89000000E+04 0.98591460 8.86677952 1.52126797 0.73450857E-03 0.89500000E+04 0.98564017 8.98463996 1.52125760 0.88197113E-03 0.90000000E+04 0.98532548 9.10233787 1.52124768 0.10478380E-02 0.90500000E+04 0.98496595 9.21982465 1.52115609 0.12322971E-02 0.91000000E+04 0.98455654 9.33705177 1.52096648 0.14348119E-02 0.91500000E+04 0.98409173 9.45397072 1.52073715 0.16539792E-02 0.92000000E+04 0.98356548 9.57053262 1.52055789 0.18877887E-02 0.92500000E+04 0.98297113 9.68668761 1.52048588 0.21341116E-02 0.93000000E+04 0.98230140 9.80238420 1.52050608 0.23910788E-02 0.93500000E+04 0.98154825 9.91756881 1.52054318 0.26571605E-02 0.94000000E+04 0.98070282 10.03218562 1.52051583 0.29309932E-02 0.94500000E+04 0.97975537 10.14617639 1.52039430 0.32111225E-02 0.95000000E+04 0.97869515 10.25948025 1.52022041 0.34958421E-02 0.95500000E+04 0.97751032 10.37203331 1.52007601 0.37831826E-02 0.96000000E+04 0.97618784 10.48376812 1.52002314 0.40710322E-02 0.96500000E+04 0.97471347 10.59461329 1.52005951 0.43572810E-02 0.97000000E+04 0.97307164 10.70449340 1.52012084 0.46399180E-02 0.97500000E+04 0.97124559 10.81332933 1.52012798 0.49170781E-02 0.98000000E+04 0.96921735 10.92103889 1.52004454 0.51871048E-02 0.98500000E+04 0.96696798 11.02753785 1.51990296 0.54487201E-02 0.99000000E+04 0.96447781 11.13274118 1.51978000 0.57013366E-02 0.99500000E+04 0.96172676 11.23656454 1.51973975 0.59454563E-02 0.10000000E+05 0.95869476 11.33892598 1.51978628 0.61830218E-02 0.10050000E+05 0.95536223 11.43974795 1.51986058 0.64175451E-02 0.10100000E+05 0.95171055 11.53895930 1.51988388 0.66538318E-02 0.10150000E+05 0.94772255 11.63649719 1.51981592 0.68972789E-02 0.10200000E+05 0.94338295 11.73230861 1.51968514 0.71528854E-02 0.10250000E+05 0.93867869 11.82635141 1.51956806 0.74241896E-02 0.10300000E+05 0.93359915 11.91859472 1.51953289 0.77123999E-02 0.10350000E+05 0.92813629 12.00901887 1.51958905 0.80158562E-02 0.10400000E+05 0.92228462 12.09761482 1.51967982 0.83298682E-02 0.10450000E+05 0.91604115 12.18438318 1.51972375 0.86469277E-02 0.10500000E+05 0.90940518 12.26933315 1.51967450 0.89572235E-02 0.10550000E+05 0.90237814 12.35248117 1.51955504 0.92493747E-02 0.10600000E+05 0.89496341 12.43384966 1.51944039 0.95113403E-02 0.10650000E+05 0.88716607 12.51346593 1.51940134 0.97314340E-02 0.10700000E+05 0.87899276 12.59136106 1.51945150 0.98993563E-02 0.10750000E+05 0.87045146 12.66756906 1.51953739 0.10007148E-01 0.10800000E+05 0.86155129 12.74212597 1.51957926 0.10049928E-01 0.10850000E+05 0.85230221 12.81506895 1.51953239 0.10026334E-01 0.10900000E+05 0.84271479 12.88643519 1.51942268 0.99386289E-02 0.10950000E+05 0.83279988 12.95626078 1.51932814 0.97924115E-02 0.11000000E+05 0.82256833 13.02457953 1.51931884 0.95959934E-02 0.11050000E+05 0.81203077 13.09142196 1.51940037 0.93595776E-02 0.11100000E+05 0.80119752 13.15681457 1.51950502 0.90944342E-02 0.11150000E+05 0.79007856 13.22077964 1.51953951 0.88122271E-02 0.11200000E+05 0.77868375 13.28333555 1.51945624 0.85245174E-02 0.11250000E+05 0.76702306 13.34449770 1.51929486 0.82423886E-02 0.11300000E+05 0.75510702 13.40427991 1.51916047 0.79761510E-02 0.11350000E+05 0.74294710 13.46269621 1.51915016 0.77351011E-02 0.11400000E+05 0.73055616 13.51976281 1.51927989 0.75273487E-02 0.11450000E+05 0.71794879 13.57549988 1.51946595 0.73597673E-02 0.11500000E+05 0.70514149 13.62993311 1.51957763 0.72380891E-02 0.11550000E+05 0.69215274 13.68309458 1.51952704 0.71671178E-02 0.11600000E+05 0.67900283 13.73502306 1.51933347 0.71510399E-02 0.11650000E+05 0.66571358 13.78576348 1.51911506 0.71937545E-02 0.11700000E+05 0.65230784 13.83536577 1.51901063 0.72990935E-02 0.11750000E+05 0.63880904 13.88388310 1.51908504 0.74707669E-02 0.11800000E+05 0.62524064 13.93136986 1.51928435 0.77119627E-02 0.11850000E+05 0.61162566 13.97787956 1.51947255 0.80247219E-02 0.11900000E+05 0.59798643 14.02346307 1.51952484 0.84093495E-02 0.11950000E+05 0.58434435 14.06816730 1.51941245 0.88641453E-02 0.12000000E+05 0.57071992 14.11203467 1.51921923 0.93856715E-02 0.12050000E+05 0.55713285 14.15510336 1.51907841 0.99695235E-02 0.12100000E+05 0.54360221 14.19740826 1.51907623 0.10611269E-01 0.12150000E+05 0.53014662 14.23898251 1.51919293 0.11307052E-01 0.12200000E+05 0.51678439 14.27985942 1.51932315 0.12053493E-01 0.12250000E+05 0.50353355 14.32007430 1.51935977 0.12846909E-01 0.12300000E+05 0.49041180 14.35966625 1.51927781 0.13682192E-01 0.12350000E+05 0.47743641 14.39867954 1.51915388 0.14551958E-01 0.12400000E+05 0.46462407 14.43716457 1.51910399 0.15446548E-01 0.12450000E+05 0.45199078 14.47517857 1.51918652 0.16355063E-01 0.12500000E+05 0.43955172 14.51278605 1.51934660 0.17266965E-01 0.12550000E+05 0.42732120 14.55005913 1.51944929 0.18173332E-01 0.12600000E+05 0.41531262 14.58707780 1.51938242 0.19066939E-01 0.12650000E+05 0.40353841 14.62393017 1.51915448 0.19941008E-01 0.12700000E+05 0.39201000 14.66071240 1.51890884 0.20787223E-01 0.12750000E+05 0.38073775 14.69752841 1.51883220 0.21594112E-01 0.12800000E+05 0.36973078 14.73448900 1.51901594 0.22346898E-01 0.12850000E+05 0.35899693 14.77171058 1.51937192 0.23029149E-01 0.12900000E+05 0.34854252 14.80931330 1.51967232 0.23625502E-01 0.12950000E+05 0.33837230 14.84741896 1.51969751 0.24124044E-01 0.13000000E+05 0.32848936 14.88614869 1.51939508 0.24517048E-01 0.13050000E+05 0.31889505 14.92562080 1.51893528 0.24799736E-01 0.13100000E+05 0.30958910 14.96594886 1.51861188 0.24967880E-01 0.13150000E+05 0.30056962 15.00724016 1.51864738 0.25015818E-01 0.13200000E+05 0.29183329 15.04959452 1.51903563 0.24936330E-01 0.13250000E+05 0.28337546 15.09310345 1.51953483 0.24722660E-01 0.13300000E+05 0.27519031 15.13784948 1.51982261 0.24371571E-01 0.13350000E+05 0.26727092 15.18390545 1.51971199 0.23885621E-01 0.13400000E+05 0.25960942 15.23133400 1.51927944 0.23273285E-01 0.13450000E+05 0.25219700 15.28018689 1.51881246 0.22546871E-01 0.13500000E+05 0.24502412 15.33050453 1.51861134 0.21719476E-01 0.13550000E+05 0.23808055 15.38231565 1.51878611 0.20802784E-01 0.13600000E+05 0.23135559 15.43563720 1.51919077 0.19806857E-01 0.13650000E+05 0.22483823 15.49047455 1.51953767 0.18741795E-01 0.13700000E+05 0.21851730 15.54682184 1.51960614 0.17619898E-01 0.13750000E+05 0.21238165 15.60466264 1.51939253 0.16456784E-01 0.13800000E+05 0.20642021 15.66397060 1.51909292 0.15270646E-01 0.13850000E+05 0.20062214 15.72471022 1.51893796 0.14080051E-01 0.13900000E+05 0.19497693 15.78683753 1.51901321 0.12901545E-01 0.13950000E+05 0.18947444 15.85030078 1.51920538 0.11748346E-01 0.14000000E+05 0.18410506 15.91504094 1.51931195 0.10630616E-01 0.14050000E+05 0.17885979 15.98099222 1.51922330 0.95568073E-02 0.14100000E+05 0.17373026 16.04808256 1.51902583 0.85350333E-02 0.14150000E+05 0.16870883 16.11623411 1.51893305 0.75735462E-02 0.14200000E+05 0.16378859 16.18536372 1.51909333 0.66801357E-02 0.14250000E+05 0.15896335 16.25538330 1.51943389 0.58609429E-02 0.14300000E+05 0.15422768 16.32619989 1.51968377 0.51194895E-02 0.14350000E+05 0.14957689 16.39771536 1.51957835 0.44564946E-02 0.14400000E+05 0.14500698 16.46982578 1.51909718 0.38705027E-02 0.14450000E+05 0.14051461 16.54242047 1.51853852 0.33588800E-02 0.14500000E+05 0.13609707 16.61538108 1.51833818 0.29186175E-02 0.14550000E+05 0.13175216 16.68858073 1.51873858 0.25465994E-02 0.14600000E+05 0.12747815 16.76188340 1.51955539 0.22393646E-02 0.14650000E+05 0.12327373 16.83514346 1.52024550 0.19926761E-02 0.14700000E+05 0.11913797 16.90820537 1.52026654 0.18012771E-02 0.14750000E+05 0.11507024 16.98090325 1.51949125 0.16590608E-02 0.14800000E+05 0.11107022 17.05306060 1.51836839 0.15595934E-02 0.14850000E+05 0.10713783 17.12449017 1.51767051 0.14967129E-02 0.14900000E+05 0.10327317 17.19499412 1.51796293 0.14648963E-02 0.14950000E+05 0.09947651 17.26436466 1.51915943 0.14592513E-02 0.15000000E+05 0.09574821 17.33238507 1.52050793 0.14752298E-02 0.15050000E+05 0.09208879 17.39883102 1.52106166 0.15083229E-02 0.15100000E+05 0.08849886 17.46347204 1.52034086 0.15539889E-02 0.15150000E+05 0.08497917 17.52607294 1.51872656 0.16078971E-02 0.15200000E+05 0.08153059 17.58639541 1.51727460 0.16663289E-02 0.15250000E+05 0.07815415 17.64419960 1.51702566 0.17264516E-02 0.15300000E+05 0.07485094 17.69924591 1.51826282 0.17862599E-02 0.15350000E+05 0.07162219 17.75129686 1.52024615 0.18442223E-02 0.15400000E+05 0.06846919 17.80011899 1.52165088 0.18988882E-02 0.15450000E+05 0.06539334 17.84548459 1.52145101 0.19487341E-02 0.15500000E+05 0.06239609 17.88717347 1.51966165 0.19923489E-02 0.15550000E+05 0.05947901 17.92497462 1.51740872 0.20287964E-02 0.15600000E+05 0.05664369 17.95868805 1.51622466 0.20578507E-02 0.15650000E+05 0.05389178 17.98812681 1.51700836 0.20798890E-02 0.15700000E+05 0.05122490 18.01311912 1.51935548 0.20954920E-02 0.15750000E+05 0.04864461 18.03351060 1.52175024 0.21050310E-02 0.15800000E+05 0.04615242 18.04916646 1.52254060 0.21085355E-02 0.15850000E+05 0.04374969 18.05997398 1.52107440 0.21059160E-02 0.15900000E+05 0.04143765 18.06584536 1.51822074 0.20973464E-02 0.15950000E+05 0.03921735 18.06672137 1.51586880 0.20834837E-02 0.16000000E+05 0.03708963 18.06257562 1.51568287 0.20653355E-02 0.16050000E+05 0.03505510 18.05341952 1.51793066 0.20438676E-02 0.16100000E+05 0.03311406 18.03930738 1.52120403 0.20196543E-02 0.16150000E+05 0.03126654 18.02034160 1.52328776 0.19928333E-02 0.16200000E+05 0.02951222 17.99667784 1.52265532 0.19633828E-02 0.16250000E+05 0.02785047 17.96853011 1.51959059 0.19314823E-02 0.16300000E+05 0.02628032 17.93617607 1.51610973 0.18976715E-02 0.16350000E+05 0.02480047 17.89996189 1.51464705 0.18626864E-02 0.16400000E+05 0.02340926 17.86030622 1.51635310 0.18271187E-02 0.16450000E+05 0.02210475 17.81770230 1.52019117 0.17911756E-02 0.16500000E+05 0.02088464 17.77271740 1.52353762 0.17547267E-02 0.16550000E+05 0.01974637 17.72598931 1.52397086 0.17175869E-02 0.16600000E+05 0.01868711 17.67821937 1.52104262 0.16797969E-02 0.16650000E+05 0.01770380 17.63016227 1.51672402 0.16416828E-02 0.16700000E+05 0.01679316 17.58261230 1.51409612 0.16036701E-02 0.16750000E+05 0.01595173 17.53638597 1.51514401 0.15660209E-02 0.16800000E+05 0.01517594 17.49230144 1.51923902 0.15287096E-02 0.16850000E+05 0.01446209 17.45115538 1.52347829 0.14915259E-02 0.16900000E+05 0.01380641 17.41369857 1.52473905 0.14543056E-02 0.16950000E+05 0.01320510 17.38061207 1.52200526 0.14171004E-02 0.17000000E+05 0.01265438 17.35248545 1.51721381 0.13801591E-02 0.17050000E+05 0.01215047 17.32979846 1.51389539 0.13437527E-02 0.17100000E+05 0.01168968 17.31290725 1.51455955 0.13079960E-02 0.17150000E+05 0.01126838 17.30203595 1.51877699 0.12728068E-02 0.17200000E+05 0.01088307 17.29727403 1.52343581 0.12380230E-02 0.17250000E+05 0.01053038 17.29857982 1.52503701 0.12035686E-02 0.17300000E+05 0.01020710 17.30578976 1.52233915 0.11695335E-02 0.17350000E+05 0.00991017 17.31863240 1.51733936 0.11361124E-02 0.17400000E+05 0.00963672 17.33674583 1.51379706 0.11034649E-02 0.17450000E+05 0.00938408 17.35969688 1.51439572 0.10716139E-02 0.17500000E+05 0.00914976 17.38700076 1.51870121 0.10404594E-02 0.17550000E+05 0.00893147 17.41814007 1.52347283 0.10098858E-02 0.17600000E+05 0.00872711 17.45258249 1.52510251 0.97986759E-03 0.17650000E+05 0.00853479 17.48979676 1.52234771 0.95049088E-03 0.17700000E+05 0.00835280 17.52926622 1.51728460 0.92188032E-03 0.17750000E+05 0.00817962 17.57049971 1.51374057 0.89409908E-03 0.17800000E+05 0.00801389 17.61303953 1.51439236 0.86710483E-03 0.17850000E+05 0.00785444 17.65646673 1.51873974 0.84079299E-03 0.17900000E+05 0.00770025 17.70040405 1.52348619 0.81508412E-03 0.17950000E+05 0.00755043 17.74451715 1.52503597 0.78997997E-03 0.18000000E+05 0.00740425 17.78851458 1.52222109 0.76554573E-03 0.18050000E+05 0.00726108 17.83214667 1.51718849 0.74184165E-03 0.18100000E+05 0.00712041 17.87520348 1.51376272 0.71886624E-03 0.18150000E+05 0.00698183 17.91751201 1.51453138 0.69655577E-03 0.18200000E+05 0.00684501 17.95893281 1.51888264 0.67483348E-03 0.18250000E+05 0.00670972 17.99935646 1.52348263 0.65366178E-03 0.18300000E+05 0.00657575 18.03870018 1.52482379 0.63305504E-03 0.18350000E+05 0.00644300 18.07690461 1.52190600 0.61304896E-03 0.18400000E+05 0.00631137 18.11393081 1.51699524 0.59365924E-03 0.18450000E+05 0.00618084 18.14975734 1.51386783 0.57486439E-03 0.18500000E+05 0.00605138 18.18437737 1.51489706 0.55662123E-03 0.18550000E+05 0.00592302 18.21779604 1.51924172 0.53889311E-03 0.18600000E+05 0.00579578 18.25002812 1.52352091 0.52166668E-03 0.18650000E+05 0.00566973 18.28109602 1.52443727 0.50494739E-03 0.18700000E+05 0.00554491 18.31102816 1.52132586 0.48874251E-03 0.18750000E+05 0.00542139 18.33985752 1.51665172 0.47304740E-03 0.18800000E+05 0.00529923 18.36762022 1.51406302 0.45784378E-03 0.18850000E+05 0.00517850 18.39435432 1.51553311 0.44310785E-03 0.18900000E+05 0.00505927 18.42009879 1.51984606 0.42881982E-03 0.18950000E+05 0.00494159 18.44489275 1.52359181 0.41496861E-03 0.19000000E+05 0.00482552 18.46877497 1.52385481 0.40155076E-03 0.19050000E+05 0.00471112 18.49178343 1.52048960 0.38856510E-03 0.19100000E+05 0.00459843 18.51395502 1.51620475 0.37600619E-03 0.19150000E+05 0.00448749 18.53532512 1.51438998 0.36385971E-03 0.19200000E+05 0.00437834 18.55592746 1.51642404 0.35210346E-03 0.19250000E+05 0.00427102 18.57579397 1.52061856 0.34071475E-03 0.19300000E+05 0.00416554 18.59495485 1.52361273 0.32967981E-03 0.19350000E+05 0.00406193 18.61343870 1.52306096 0.31899746E-03 0.19400000E+05 0.00396021 18.63127252 1.51947369 0.30867226E-03 0.19450000E+05 0.00386038 18.64848176 1.51577087 0.29870173E-03 0.19500000E+05 0.00376246 18.66509039 1.51491275 0.28906902E-03 0.19550000E+05 0.00366645 18.68112100 1.51752306 0.27974839E-03 0.19600000E+05 0.00357235 18.69659500 1.52143017 0.27071947E-03 0.19650000E+05 0.00348017 18.71153278 1.52346969 0.26197675E-03 0.19700000E+05 0.00338989 18.72595384 1.52204590 0.25352488E-03 0.19750000E+05 0.00330151 18.73987676 1.51838243 0.24536389E-03 0.19800000E+05 0.00321502 18.75331929 1.51548932 0.23747875E-03 0.19850000E+05 0.00313042 18.76629843 1.51569648 0.22984471E-03 0.19900000E+05 0.00304768 18.77883057 1.51876640 0.22244406E-03 0.19950000E+05 0.00296680 18.79093156 1.52213322 0.21527780E-03 0.20000000E+05 0.00288776 18.80261680 1.52304546 0.20835918E-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 -0.017214 0.59987 2 0.1554312 -0.019651 0.01405 3 0.1597487 -0.009995 -0.55742 4 0.1640662 0.004005 -1.13377 5 0.1683837 0.012915 -1.72818 6 0.1727013 0.011668 -2.33356 7 0.1770188 0.002513 -2.92115 8 0.1813363 -0.007117 2.81720 9 0.1856539 -0.010232 2.31591 10 0.1899714 -0.005266 1.84261 11 0.1942889 0.003233 1.38206 12 0.1986065 0.008516 0.93067 13 0.2029240 0.006893 0.49785 14 0.2072415 0.000267 0.09543 15 0.2115591 -0.005799 -0.27423 16 0.2158766 -0.006656 -0.61942 17 0.2201941 -0.002080 -0.95204 18 0.2245117 0.003850 -1.27967 19 0.2288292 0.006201 -1.60111 20 0.2331467 0.003202 -1.90890 21 0.2374643 -0.002319 -2.19803 22 0.2417818 -0.005360 -2.47207 23 0.2460993 -0.003216 -2.74123 24 0.2504169 0.001893 -3.01482 25 0.2547344 0.004843 2.98986 26 0.2590519 0.002749 2.71501 27 0.2633695 -0.001933 2.45037 28 0.2676870 -0.004017 2.18918 29 0.2720045 -0.001421 1.91309 30 0.2763221 0.002477 1.60749 31 0.2806396 0.002998 1.27936 32 0.2849571 -0.000107 0.94825 33 0.2892746 -0.002605 0.60938 34 0.2935922 -0.001461 0.22826 35 0.2979097 0.001316 -0.20205 36 0.3022272 0.001801 -0.61640 37 0.3065448 -0.000324 -0.97229 38 0.3108623 -0.001693 -1.30311 39 0.3151798 -0.000453 -1.63954 40 0.3194974 0.001178 -1.95670 41 0.3238149 0.000655 -2.22374 42 0.3281324 -0.000942 -2.45929 43 0.3324500 -0.000921 -2.70147 44 0.3367675 0.000546 -2.95654 45 0.3410850 0.000867 3.08965 46 0.3454026 -0.000481 2.88425 47 0.3497201 -0.001100 2.68527 48 0.3540376 0.000107 2.46906 49 0.3583552 0.000974 2.25075 50 0.3626727 -0.000111 2.05931 51 0.3669902 -0.001256 1.88821 52 0.3713078 -0.000354 1.70840 53 0.3756253 0.001052 1.51551 54 0.3799428 0.000391 1.33794 55 0.3842604 -0.001242 1.18675 56 0.3885779 -0.000853 1.03720 57 0.3928954 0.001023 0.87001 58 0.3972129 0.001060 0.70442 59 0.4015305 -0.000855 0.56429 60 0.4058480 -0.001176 0.43463 61 0.4101655 0.000914 0.28740 62 0.4144831 0.001767 0.13034 63 0.4188006 -0.000142 -0.00512 64 0.4231181 -0.001156 -0.12291 65 0.4274357 0.000971 -0.25575 66 0.4317532 0.002669 -0.40663 67 0.4360707 0.001046 -0.54008 68 0.4403883 -0.000410 -0.65008 69 0.4447058 0.001847 -0.77226 70 0.4490233 0.004456 -0.91835 71 0.4533409 0.003341 -1.04990 72 0.4576584 0.001891 -1.15355 73 0.4619759 0.004788 -1.26839 74 0.4662935 0.008629 -1.41212 75 0.4706110 0.008310 -1.54187 76 0.4749285 0.007557 -1.64007 77 0.4792461 0.012034 -1.75086 78 0.4835636 0.017709 -1.89343 79 0.4878811 0.018684 -2.01777 80 0.4921987 0.019838 -2.10747 81 0.4965162 0.027532 -2.21319 82 0.5008337 0.036152 -2.34955 83 0.5051512 0.039451 -2.45908 84 0.5094688 0.044500 -2.53333 85 0.5137863 0.057641 -2.62844 86 0.5181038 0.070544 -2.74916 87 0.5224214 0.077589 -2.83426 88 0.5267389 0.088985 -2.88802 89 0.5310564 0.109521 -2.96944 90 0.5353740 0.127271 -3.07089 91 0.5396915 0.138972 -3.13047 92 0.5440090 0.158107 3.11660 93 0.5483266 0.185506 3.04365 ******************************************************************************** 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 0.9995814E+00 0.2151690E-01 0.3893832E+00 1 0.5849693E-07 0.1401662E-01 0.1450213E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.5723664E-07 0 26 1 0 0.6172244E-07 0 31 1 1 0.5400371E-06 0 13 3 -3 0.5279663E-08 0 17 3 -2 0.8544253E-08 0 22 3 -1 0.3833764E-07 0 27 3 0 0.7808760E-07 0 32 3 1 0.3925499E-06 0 36 3 2 0.8463362E-06 0 40 3 3 0.3641526E-05 0 7 5 -5 0.9136498E-10 0 10 5 -4 0.2646301E-09 0 14 5 -3 0.6451230E-09 0 18 5 -2 0.2573182E-08 0 23 5 -1 0.1072991E-07 0 28 5 0 0.3024632E-07 0 33 5 1 0.1718615E-06 0 37 5 2 0.5752650E-06 0 41 5 3 0.3164390E-05 0 44 5 4 0.8946181E-05 0 47 5 5 0.3264882E-04 0 3 7 -7 0.4931365E-11 0 5 7 -6 0.5699561E-11 0 8 7 -5 0.1665584E-11 0 11 7 -4 0.6103401E-11 0 15 7 -3 0.2751445E-10 0 19 7 -2 0.9613769E-10 0 24 7 -1 0.1071384E-08 0 29 7 0 0.4522005E-08 0 34 7 1 0.5012605E-07 0 38 7 2 0.1400444E-06 0 42 7 3 0.3047524E-05 0 45 7 4 0.6228142E-04 0 48 7 5 0.2404863E-02 0 50 7 6 0.5533813E-01 0 52 7 7 0.9417217E+00 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 0.7584993E-10 1 26 1 0 0.8172877E-09 1 31 1 1 0.5757910E-07 1 13 3 -3 0.1324125E-16 1 17 3 -2 0.1877864E-14 1 22 3 -1 0.1756084E-17 1 27 3 0 0.1337278E-17 1 32 3 1 0.2468839E-10 1 36 3 2 0.2402311E-17 1 40 3 3 0.1461237E-16 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 0.3117768E-15 1 0.5224595E-08 2 0.3656805E-08 3 0.6739746E-08 4 0.3296901E-08 5 0.1331226E-07 6 0.4884374E-08 7 0.9768652E-08 8 0.8798357E-08 9 0.1554948E-08 v, j, mj = 0 1 0 0 0.3555451E-16 1 0.2573381E-08 2 0.6512870E-08 3 0.7717841E-08 4 0.7726696E-08 5 0.1718090E-07 6 0.1062209E-07 7 0.5369717E-08 8 0.2606635E-08 9 0.1412310E-08 v, j, mj = 0 1 1 0 0.3656041E-07 1 0.4907595E-07 2 0.6225198E-07 3 0.6201334E-07 4 0.7002363E-07 5 0.1221770E-06 6 0.5229975E-07 7 0.6596631E-07 8 0.1716027E-07 9 0.2508479E-08 v, j, mj = 0 3 -3 0 0.4987599E-15 1 0.4450160E-09 2 0.4557484E-09 3 0.3196860E-09 4 0.2055822E-09 5 0.5217849E-09 6 0.4461943E-09 7 0.1302518E-08 8 0.1579175E-08 9 0.3957360E-11 v, j, mj = 0 3 -2 0 0.6268982E-11 1 0.1191148E-08 2 0.4863609E-09 3 0.9631744E-09 4 0.8583730E-09 5 0.9778305E-09 6 0.1593867E-08 7 0.1273519E-08 8 0.1188399E-08 9 0.5311807E-11 v, j, mj = 0 3 -1 0 0.3832721E-16 1 0.2031833E-08 2 0.6615088E-08 3 0.2341729E-08 4 0.3436113E-08 5 0.3752443E-08 6 0.6912453E-08 7 0.6531109E-08 8 0.6626496E-08 9 0.9037625E-10 v, j, mj = 0 3 0 0 0.1216865E-15 1 0.3880362E-08 2 0.1092677E-07 3 0.1520631E-07 4 0.6685270E-08 5 0.1030806E-07 6 0.1592821E-07 7 0.8516017E-08 8 0.6611931E-08 9 0.2466929E-10 v, j, mj = 0 3 1 0 0.6444484E-09 1 0.2690278E-07 2 0.5025059E-07 3 0.6268263E-07 4 0.5264479E-07 5 0.7683977E-07 6 0.9011185E-07 7 0.2064109E-07 8 0.1167895E-07 9 0.1530048E-09 v, j, mj = 0 3 2 0 0.1380582E-15 1 0.3322253E-07 2 0.3930393E-07 3 0.1491510E-06 4 0.3494292E-06 5 0.9419298E-07 6 0.1213196E-06 7 0.4487186E-07 8 0.1467144E-07 9 0.1736279E-09 v, j, mj = 0 3 3 0 0.4378294E-14 1 0.3426989E-06 2 0.3453829E-06 3 0.3430179E-06 4 0.6119776E-06 5 0.9947515E-06 6 0.8842159E-06 7 0.1048399E-06 8 0.1454479E-07 9 0.9708599E-10 v, j, mj = 0 5 -5 0 0.1296675E-11 1 0.4546315E-12 2 0.5275927E-12 3 0.2241811E-11 4 0.3246306E-11 5 0.9346198E-11 6 0.2180921E-10 7 0.5244256E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.5922033E-15 1 0.9842853E-12 2 0.3535667E-11 3 0.3364314E-11 4 0.1231175E-10 5 0.2405480E-10 6 0.9294605E-10 7 0.1274327E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.5812133E-17 1 0.4722600E-11 2 0.4479560E-10 3 0.2779842E-10 4 0.5281022E-10 5 0.3149338E-10 6 0.2044489E-09 7 0.2790539E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.2845713E-10 1 0.1196050E-09 2 0.1666339E-09 3 0.1482797E-09 4 0.7832726E-10 5 0.1629861E-09 6 0.6471432E-09 7 0.1221750E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.7091565E-17 1 0.7203496E-09 2 0.1027722E-08 3 0.5731031E-09 4 0.1098381E-08 5 0.6658168E-09 6 0.3476931E-08 7 0.3167605E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.3386838E-16 1 0.1916178E-08 2 0.4439331E-08 3 0.4133764E-08 4 0.4798814E-08 5 0.3042079E-08 6 0.5358891E-08 7 0.6557259E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.3059466E-08 1 0.8530483E-08 2 0.1698028E-07 3 0.2839993E-07 4 0.3123122E-07 5 0.1499975E-07 6 0.4284789E-07 7 0.2581250E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.2146130E-15 1 0.2678870E-07 2 0.1143383E-06 3 0.1722923E-06 4 0.1551519E-06 5 0.5264551E-07 6 0.3847393E-07 7 0.1557438E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.2274013E-14 1 0.3611599E-06 2 0.8306631E-06 3 0.8519381E-06 4 0.6762132E-06 5 0.1779546E-06 6 0.1850928E-06 7 0.8136793E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1260983E-06 1 0.7933856E-06 2 0.4127727E-05 3 0.1893606E-05 4 0.1201755E-05 5 0.5977025E-06 6 0.1476155E-06 7 0.5829071E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.1330036E-13 1 0.5132515E-05 2 0.2446861E-05 3 0.1807711E-04 4 0.3878889E-05 5 0.2778832E-05 6 0.1489883E-06 7 0.1856210E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1185680E-14 1 0.1742287E-13 2 0.1532833E-12 3 0.6019930E-12 4 0.2753210E-11 5 0.1404271E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.9894359E-16 1 0.2083303E-12 2 0.6560401E-12 3 0.9467931E-12 4 0.2154008E-11 5 0.1734291E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2105212E-14 1 0.4738529E-13 2 0.6030639E-13 3 0.1333180E-12 4 0.7297223E-12 5 0.6927470E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5100323E-16 1 0.1216907E-12 2 0.1462029E-12 3 0.4810876E-12 4 0.2820270E-11 5 0.2534099E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1064514E-15 1 0.2442910E-12 2 0.3108544E-12 3 0.8355333E-12 4 0.1315838E-10 5 0.1296528E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.9581742E-12 1 0.2927937E-12 2 0.1873525E-11 3 0.3516871E-11 4 0.3178148E-10 5 0.5771484E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1763558E-17 1 0.1204162E-10 2 0.1632784E-10 3 0.1019531E-10 4 0.4966613E-09 5 0.5361578E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1979716E-16 1 0.2731580E-09 2 0.2128546E-09 3 0.6637545E-09 4 0.7408545E-09 5 0.2631384E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.9967458E-09 1 0.2821243E-08 2 0.3638173E-08 3 0.6002760E-08 4 0.1594357E-07 5 0.2072356E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.2635494E-17 1 0.1331505E-07 2 0.2928738E-07 3 0.3088325E-07 4 0.2929656E-07 5 0.3726220E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1633391E-16 1 0.4123494E-06 2 0.1221428E-05 3 0.9445924E-06 4 0.2373515E-06 5 0.2318022E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1353144E-06 1 0.3961354E-05 2 0.3197832E-04 3 0.2509039E-04 4 0.1041149E-05 5 0.7489579E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.6106382E-16 1 0.7921648E-04 2 0.1649515E-02 3 0.6473974E-03 4 0.2863169E-04 5 0.1024517E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1070946E-15 1 0.7075025E-02 2 0.3804833E-01 3 0.9970659E-02 4 0.2435950E-03 5 0.5162721E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2498304E+00 1 0.1090375E+00 2 0.5024622E+00 3 0.7899315E-01 4 0.1397187E-02 5 0.1288015E-05 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.5057623E-15 1 0.1199986E-10 2 0.3561758E-10 3 0.2823199E-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 1 0 0 0.9209576E-18 1 0.2007466E-09 2 0.5753596E-09 3 0.4118149E-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 1 1 0 0.1428088E-08 1 0.4415164E-07 2 0.8941113E-08 3 0.3058261E-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 0.1324125E-16 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1877864E-14 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 0.1756084E-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 0 0 0.1337278E-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 0.2468839E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2402311E-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 0.1461237E-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 sum of the probabilities = 0.9995815 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.389383 average diffraction energy (ev) = 0.021517 the reaction probability = 0.4185156D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42328815D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1002374E+01 0.3085073E-01 0.3893799E+00 1 0.6211063E-06 0.1511905E-01 0.6642474E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1858185E-06 0 26 1 0 0.1003298E-06 0 31 1 1 0.7641488E-06 0 13 3 -3 0.2161324E-07 0 17 3 -2 0.1003146E-07 0 22 3 -1 0.5104479E-07 0 27 3 0 0.1156373E-06 0 32 3 1 0.5555163E-06 0 36 3 2 0.1411555E-05 0 40 3 3 0.5749651E-05 0 7 5 -5 0.1911175E-09 0 10 5 -4 0.3914703E-09 0 14 5 -3 0.1969228E-08 0 18 5 -2 0.4594137E-08 0 23 5 -1 0.2058127E-07 0 28 5 0 0.6110924E-07 0 33 5 1 0.3343885E-06 0 37 5 2 0.1531262E-05 0 41 5 3 0.6110072E-05 0 44 5 4 0.2071042E-04 0 47 5 5 0.3466880E-04 0 3 7 -7 0.1737569E-10 0 5 7 -6 0.2273276E-10 0 8 7 -5 0.9525645E-11 0 11 7 -4 0.2579608E-10 0 15 7 -3 0.8275901E-10 0 19 7 -2 0.3677549E-09 0 24 7 -1 0.1863547E-08 0 29 7 0 0.1250774E-07 0 34 7 1 0.5750164E-07 0 38 7 2 0.3772742E-06 0 42 7 3 0.8876077E-05 0 45 7 4 0.2822611E-03 0 48 7 5 0.7179752E-02 0 50 7 6 0.8779848E-01 0 52 7 7 0.9070281E+00 0 1 9 -9 0.3940896E-13 0 2 9 -8 0.1424718E-12 0 4 9 -7 0.9401426E-13 0 6 9 -6 0.2370368E-13 0 9 9 -5 0.1883149E-12 0 12 9 -4 0.1263613E-12 0 16 9 -3 0.8330406E-13 0 20 9 -2 0.2213357E-12 0 25 9 -1 0.1116577E-11 0 30 9 0 0.8140653E-11 0 35 9 1 0.1198643E-09 0 39 9 2 0.4637374E-09 0 43 9 3 0.2793831E-08 0 46 9 4 0.6916364E-08 0 49 9 5 0.7581076E-07 0 51 9 6 0.2253008E-06 0 53 9 7 0.4343865E-06 0 54 9 8 0.1363555E-05 0 55 9 9 0.1864020E-05 1 21 1 -1 0.1082485E-08 1 26 1 0 0.1615548E-08 1 31 1 1 0.1683846E-06 1 13 3 -3 0.2369807E-11 1 17 3 -2 0.6623914E-11 1 22 3 -1 0.8762259E-10 1 27 3 0 0.1645874E-08 1 32 3 1 0.1646686E-07 1 36 3 2 0.5049247E-08 1 40 3 3 0.4267651E-06 1 7 5 -5 0.0000000E+00 1 10 5 -4 0.0000000E+00 1 14 5 -3 0.0000000E+00 1 18 5 -2 0.0000000E+00 1 23 5 -1 0.0000000E+00 1 28 5 0 0.0000000E+00 1 33 5 1 0.0000000E+00 1 37 5 2 0.0000000E+00 1 41 5 3 0.0000000E+00 1 44 5 4 0.0000000E+00 1 47 5 5 0.0000000E+00 1 3 7 -7 0.0000000E+00 1 5 7 -6 0.0000000E+00 1 8 7 -5 0.0000000E+00 1 11 7 -4 0.0000000E+00 1 15 7 -3 0.0000000E+00 1 19 7 -2 0.0000000E+00 1 24 7 -1 0.0000000E+00 1 29 7 0 0.0000000E+00 1 34 7 1 0.0000000E+00 1 38 7 2 0.0000000E+00 1 42 7 3 0.0000000E+00 1 45 7 4 0.0000000E+00 1 48 7 5 0.0000000E+00 1 50 7 6 0.0000000E+00 1 52 7 7 0.0000000E+00 1 1 9 -9 0.0000000E+00 1 2 9 -8 0.0000000E+00 1 4 9 -7 0.0000000E+00 1 6 9 -6 0.0000000E+00 1 9 9 -5 0.0000000E+00 1 12 9 -4 0.0000000E+00 1 16 9 -3 0.0000000E+00 1 20 9 -2 0.0000000E+00 1 25 9 -1 0.0000000E+00 1 30 9 0 0.0000000E+00 1 35 9 1 0.0000000E+00 1 39 9 2 0.0000000E+00 1 43 9 3 0.0000000E+00 1 46 9 4 0.0000000E+00 1 49 9 5 0.0000000E+00 1 51 9 6 0.0000000E+00 1 53 9 7 0.0000000E+00 1 54 9 8 0.0000000E+00 1 55 9 9 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 1 -1 0 0.9974261E-15 1 0.2494370E-07 2 0.2059102E-07 3 0.2469637E-07 4 0.3542553E-07 5 0.4069151E-07 6 0.1336642E-07 7 0.1312883E-07 8 0.8034305E-08 9 0.4940811E-08 v, j, mj = 0 1 0 0 0.8885416E-15 1 0.4923940E-08 2 0.4354216E-08 3 0.1286069E-07 4 0.3311791E-07 5 0.2044983E-07 6 0.1266160E-07 7 0.7718890E-08 8 0.2382656E-08 9 0.1860082E-08 v, j, mj = 0 1 1 0 0.1196806E-07 1 0.3012283E-07 2 0.6184640E-07 3 0.1086865E-06 4 0.1672097E-06 5 0.1010655E-06 6 0.1363035E-06 7 0.1241786E-06 8 0.1739780E-07 9 0.5369911E-08 v, j, mj = 0 3 -3 0 0.3896294E-14 1 0.5291769E-08 2 0.4769507E-08 3 0.3730718E-08 4 0.1740989E-08 5 0.1738073E-08 6 0.1298281E-08 7 0.1445313E-08 8 0.1089590E-08 9 0.5089949E-09 v, j, mj = 0 3 -2 0 0.1019998E-10 1 0.9929155E-09 2 0.5337884E-09 3 0.4914023E-09 4 0.3151316E-08 5 0.1452862E-08 6 0.1249682E-08 7 0.8768280E-09 8 0.6672943E-09 9 0.6051732E-09 v, j, mj = 0 3 -1 0 0.3302447E-15 1 0.3483612E-08 2 0.8344528E-08 3 0.7608670E-08 4 0.7375094E-08 5 0.5042886E-08 6 0.4271714E-08 7 0.8513567E-08 8 0.4991965E-08 9 0.1412758E-08 v, j, mj = 0 3 0 0 0.3747581E-14 1 0.1216581E-07 2 0.1607986E-07 3 0.3130792E-07 4 0.1716985E-07 5 0.1209744E-07 6 0.9623308E-08 7 0.8613099E-08 8 0.4618584E-08 9 0.3961464E-08 v, j, mj = 0 3 1 0 0.2863586E-08 1 0.2170256E-08 2 0.1227290E-06 3 0.9738091E-07 4 0.1369378E-06 5 0.5451708E-07 6 0.7366397E-07 7 0.4798305E-07 8 0.1457823E-07 9 0.2692404E-08 v, j, mj = 0 3 2 0 0.6789367E-14 1 0.2457897E-07 2 0.9371926E-07 3 0.2262731E-06 4 0.5733567E-06 5 0.2638671E-06 6 0.1347716E-06 7 0.7318415E-07 8 0.1276879E-07 9 0.9035547E-08 v, j, mj = 0 3 3 0 0.1059874E-12 1 0.2281287E-06 2 0.6986120E-06 3 0.8565387E-06 4 0.1112135E-05 5 0.1766156E-05 6 0.8054100E-06 7 0.2273650E-06 8 0.3616762E-07 9 0.1913906E-07 v, j, mj = 0 5 -5 0 0.9499904E-11 1 0.4769277E-11 2 0.1427560E-10 3 0.1293926E-10 4 0.1928412E-10 5 0.1512399E-10 6 0.1710129E-10 7 0.6658048E-10 8 0.3154359E-10 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1833148E-13 1 0.3410830E-11 2 0.1438250E-10 3 0.2685106E-10 4 0.2391592E-10 5 0.6563537E-10 6 0.5620949E-10 7 0.1118277E-09 8 0.8921918E-10 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.2453923E-15 1 0.2427781E-10 2 0.2341591E-09 3 0.9149495E-10 4 0.1030375E-09 5 0.8769249E-10 6 0.2909851E-09 7 0.5871957E-09 8 0.5503849E-09 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1245573E-09 1 0.5550409E-09 2 0.9229603E-09 3 0.1704694E-09 4 0.3610357E-09 5 0.2756365E-09 6 0.7871378E-09 7 0.7269438E-09 8 0.6703555E-09 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.5574530E-16 1 0.2185930E-08 2 0.4155780E-08 3 0.1559487E-08 4 0.8520488E-09 5 0.1344435E-08 6 0.2784114E-08 7 0.3293638E-08 8 0.4405833E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.7507680E-15 1 0.8320571E-08 2 0.1041604E-07 3 0.1189057E-07 4 0.6957684E-08 5 0.4286601E-08 6 0.8658522E-08 7 0.6731501E-08 8 0.3847750E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.4672239E-07 1 0.2651915E-07 2 0.5408409E-07 3 0.8025216E-07 4 0.5265553E-07 5 0.3030106E-07 6 0.1908155E-07 7 0.1016201E-07 8 0.1461055E-07 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.4296825E-14 1 0.3594710E-06 2 0.1726903E-06 3 0.4440173E-06 4 0.3674630E-06 5 0.5998444E-07 6 0.7947472E-07 7 0.4067378E-07 8 0.7487895E-08 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.6498249E-13 1 0.7352498E-06 2 0.1482373E-05 3 0.2498940E-05 4 0.9561748E-06 5 0.2429952E-06 6 0.1272566E-06 7 0.5055540E-07 8 0.1652697E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.1234818E-07 1 0.2673914E-05 2 0.3037421E-05 3 0.9864008E-05 4 0.3470321E-05 5 0.1178037E-05 6 0.3377217E-06 7 0.9805318E-07 8 0.3859728E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.3950273E-12 1 0.5163509E-05 2 0.3994221E-05 3 0.8865368E-05 4 0.8063234E-05 5 0.7543198E-05 6 0.7516904E-06 7 0.2703206E-06 8 0.1725924E-07 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.8756394E-15 1 0.6916699E-13 2 0.6722064E-12 3 0.7472416E-12 4 0.2501165E-11 5 0.9478821E-11 6 0.3906211E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1364477E-14 1 0.4859705E-12 2 0.9967232E-12 3 0.2951130E-11 4 0.5287433E-11 5 0.9356659E-11 6 0.3653483E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2495838E-13 1 0.1100995E-12 2 0.2301642E-12 3 0.4205145E-12 4 0.1214840E-11 5 0.4426258E-11 6 0.3098810E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.6773604E-15 1 0.4478377E-12 2 0.2331570E-12 3 0.8950552E-12 4 0.2977108E-11 5 0.1608578E-10 6 0.5156462E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1032226E-16 1 0.2472719E-11 2 0.3056004E-11 3 0.1360688E-11 4 0.4404277E-11 5 0.2377864E-10 6 0.4768667E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.3838760E-11 1 0.7490212E-11 2 0.1681118E-10 3 0.9458041E-11 4 0.1102858E-10 5 0.2284234E-09 6 0.9070464E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.5908443E-16 1 0.6685279E-10 2 0.4485027E-10 3 0.1530031E-09 4 0.2214629E-09 5 0.2441230E-09 6 0.1133255E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.5787729E-17 1 0.1872527E-09 2 0.3527089E-09 3 0.2491479E-08 4 0.6390093E-09 5 0.5877841E-08 6 0.2959446E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2398075E-10 1 0.5694010E-08 2 0.4650204E-08 3 0.1160933E-07 4 0.1508521E-07 5 0.4577686E-08 6 0.1586121E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.6512934E-16 1 0.4059412E-07 2 0.3432924E-07 3 0.1238368E-06 4 0.6897848E-07 5 0.7104514E-07 6 0.3849047E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1011499E-14 1 0.3629949E-06 2 0.1891610E-05 3 0.5616992E-05 4 0.8633991E-06 5 0.6832334E-07 6 0.7275732E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1730084E-06 1 0.8065667E-06 2 0.8768160E-04 3 0.1694979E-03 4 0.2343273E-04 5 0.5960796E-06 6 0.7319958E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.8893055E-14 1 0.2439318E-04 2 0.3230970E-02 3 0.3536834E-02 4 0.3842874E-03 5 0.3165598E-05 6 0.1022659E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.9711636E-15 1 0.7616829E-03 2 0.4262448E-01 3 0.4052789E-01 4 0.3848876E-02 5 0.3546062E-04 6 0.9511040E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.1311832E+00 1 0.3120361E+00 2 0.1747710E+00 3 0.2677808E+00 4 0.2109575E-01 5 0.1603625E-03 6 0.8533255E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.6027439E-16 1 0.1004223E-13 2 0.2930645E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1846462E-14 1 0.1523450E-13 2 0.1253909E-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 0.5170697E-16 1 0.5403454E-13 2 0.3992801E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.4430951E-16 1 0.1356842E-13 2 0.1009095E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.1737816E-13 1 0.1369468E-12 2 0.3398992E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1195223E-15 1 0.1098667E-12 2 0.1637511E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.4507665E-16 1 0.2381241E-13 2 0.5944657E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3845702E-13 1 0.9833169E-13 2 0.8454703E-13 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2483490E-16 1 0.2633148E-12 2 0.8532370E-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 0 0 0.2374891E-16 1 0.1629101E-11 2 0.6511528E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.1848414E-11 1 0.3843604E-10 2 0.7957987E-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 2 0 0.5637926E-17 1 0.2618850E-09 2 0.2018524E-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 0.4920549E-16 1 0.2287754E-08 2 0.5060771E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.3930773E-09 1 0.2915314E-08 2 0.3607973E-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 0.1490043E-15 1 0.3750024E-07 2 0.3831052E-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 0.3736208E-16 1 0.1035286E-06 2 0.1217723E-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 7 0 0.1188166E-06 1 0.2442782E-06 2 0.7129169E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.4121830E-16 1 0.1062916E-05 2 0.3006389E-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 9 0 0.2424201E-15 1 0.1798107E-05 2 0.6591273E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1257414E-16 1 0.3519995E-10 2 0.9639683E-10 3 0.3424019E-09 4 0.6084861E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.5652303E-17 1 0.4525781E-09 2 0.1313335E-09 3 0.4869540E-09 4 0.5446827E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3825824E-07 1 0.7563607E-07 2 0.2245755E-07 3 0.2198456E-07 4 0.1004815E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.1225658E-16 1 0.2664644E-12 2 0.1639556E-11 3 0.4637743E-12 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 0.1518066E-12 1 0.1014555E-11 2 0.4508539E-11 3 0.9490127E-12 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 0.4663404E-16 1 0.6067730E-11 2 0.7570907E-10 3 0.5845751E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1415116E-16 1 0.7146896E-09 2 0.8890512E-09 3 0.4213277E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1655245E-08 1 0.1253400E-07 2 0.2189197E-08 3 0.8841638E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1416295E-16 1 0.3652202E-08 2 0.1063763E-08 3 0.3332824E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.8636546E-16 1 0.3148897E-06 2 0.1107391E-06 3 0.1136297E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0023749 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.389380 average diffraction energy (ev) = 0.030851 the reaction probability = -0.2374946D-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 0.9990549E+00 0.4117951E-01 0.3893468E+00 1 0.7889128E-06 0.2622682E-01 0.6011396E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3424646E-06 0 26 1 0 0.1889437E-06 0 31 1 1 0.1241251E-05 0 13 3 -3 0.1113344E-06 0 17 3 -2 0.3412436E-07 0 22 3 -1 0.7515349E-07 0 27 3 0 0.1871676E-06 0 32 3 1 0.7341966E-06 0 36 3 2 0.1692205E-05 0 40 3 3 0.7536705E-05 0 7 5 -5 0.1792011E-08 0 10 5 -4 0.1194341E-08 0 14 5 -3 0.1822140E-08 0 18 5 -2 0.8394008E-08 0 23 5 -1 0.3795176E-07 0 28 5 0 0.2208263E-06 0 33 5 1 0.1284745E-05 0 37 5 2 0.5980254E-05 0 41 5 3 0.2341941E-04 0 44 5 4 0.5138599E-04 0 47 5 5 0.1732605E-03 0 3 7 -7 0.2577901E-10 0 5 7 -6 0.6507483E-10 0 8 7 -5 0.1548395E-10 0 11 7 -4 0.7466059E-10 0 15 7 -3 0.1794166E-09 0 19 7 -2 0.6763081E-09 0 24 7 -1 0.4416763E-08 0 29 7 0 0.1698973E-07 0 34 7 1 0.1154495E-06 0 38 7 2 0.1734396E-05 0 42 7 3 0.5943932E-04 0 45 7 4 0.1499141E-02 0 48 7 5 0.2173097E-01 0 50 7 6 0.1555804E+00 0 52 7 7 0.8199025E+00 0 1 9 -9 0.8426199E-12 0 2 9 -8 0.3422796E-11 0 4 9 -7 0.1788065E-11 0 6 9 -6 0.1162407E-11 0 9 9 -5 0.1073733E-11 0 12 9 -4 0.5507426E-12 0 16 9 -3 0.1297023E-11 0 20 9 -2 0.9050912E-11 0 25 9 -1 0.5321713E-10 0 30 9 0 0.2870575E-09 0 35 9 1 0.2041781E-08 0 39 9 2 0.6659510E-08 0 43 9 3 0.1984149E-07 0 46 9 4 0.1822952E-06 0 49 9 5 0.3185082E-06 0 51 9 6 0.5467411E-06 0 53 9 7 0.1221813E-05 0 54 9 8 0.5517718E-05 0 55 9 9 0.5055449E-05 1 21 1 -1 0.3493602E-08 1 26 1 0 0.1064446E-07 1 31 1 1 0.2726384E-06 1 13 3 -3 0.1102236E-09 1 17 3 -2 0.1259231E-09 1 22 3 -1 0.7330448E-09 1 27 3 0 0.7283305E-08 1 32 3 1 0.3478553E-07 1 36 3 2 0.3424156E-07 1 40 3 3 0.4248353E-06 1 7 5 -5 0.2642798E-15 1 10 5 -4 0.7941335E-18 1 14 5 -3 0.3191924E-18 1 18 5 -2 0.2663302E-15 1 23 5 -1 0.2174551E-17 1 28 5 0 0.2043295E-18 1 33 5 1 0.2289853E-11 1 37 5 2 0.1683867E-18 1 41 5 3 0.1194790E-19 1 44 5 4 0.1917827E-10 1 47 5 5 0.2091223E-17 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 0.1477521E-13 1 0.5097280E-07 2 0.5331389E-07 3 0.6246074E-07 4 0.5140270E-07 5 0.4486669E-07 6 0.5211988E-07 7 0.1177240E-07 8 0.9036939E-08 9 0.6518545E-08 v, j, mj = 0 1 0 0 0.7018807E-14 1 0.1828643E-07 2 0.5404128E-08 3 0.2955798E-07 4 0.4811076E-07 5 0.3725551E-07 6 0.3469348E-07 7 0.1128245E-07 8 0.3080413E-08 9 0.1272565E-08 v, j, mj = 0 1 1 0 0.1033739E-07 1 0.3827992E-07 2 0.1122183E-06 3 0.1098715E-06 4 0.1890904E-06 5 0.2601499E-06 6 0.3358611E-06 7 0.1575934E-06 8 0.2060391E-07 9 0.7245055E-08 v, j, mj = 0 3 -3 0 0.1637971E-13 1 0.2486265E-07 2 0.2415522E-07 3 0.2343601E-07 4 0.1878636E-07 5 0.1355850E-07 6 0.3112684E-08 7 0.1441384E-08 8 0.1278254E-08 9 0.7033261E-09 v, j, mj = 0 3 -2 0 0.9264056E-10 1 0.4428230E-09 2 0.9306544E-09 3 0.7439740E-08 4 0.1509206E-07 5 0.3941263E-08 6 0.2760258E-08 7 0.1266289E-08 8 0.9910885E-09 9 0.1167550E-08 v, j, mj = 0 3 -1 0 0.3164172E-14 1 0.3515898E-08 2 0.5369079E-08 3 0.9851107E-08 4 0.1781818E-07 5 0.1206427E-07 6 0.1092129E-07 7 0.7616865E-08 8 0.5942663E-08 9 0.2054138E-08 v, j, mj = 0 3 0 0 0.2866020E-13 1 0.1894089E-07 2 0.3535751E-07 3 0.4321102E-07 4 0.2345216E-07 5 0.2944086E-07 6 0.1515776E-07 7 0.1253592E-07 8 0.4741082E-08 9 0.4330406E-08 v, j, mj = 0 3 1 0 0.3075212E-07 1 0.6072217E-07 2 0.8919394E-07 3 0.1754267E-06 4 0.1684471E-06 5 0.8677518E-07 6 0.6276744E-07 7 0.4230975E-07 8 0.1368183E-07 9 0.4120361E-08 v, j, mj = 0 3 2 0 0.5193194E-13 1 0.3927205E-07 2 0.6131565E-06 3 0.1104599E-06 4 0.2824025E-06 5 0.2533936E-06 6 0.2924751E-06 7 0.6800570E-07 8 0.2421565E-07 9 0.8824311E-08 v, j, mj = 0 3 3 0 0.7378855E-12 1 0.7408304E-06 2 0.8871282E-06 3 0.1503864E-05 4 0.1551836E-05 5 0.1647382E-05 6 0.7590504E-06 7 0.3963146E-06 8 0.3613185E-07 9 0.1416721E-07 v, j, mj = 0 5 -5 0 0.1766042E-09 1 0.2307398E-09 2 0.4479447E-09 3 0.4241975E-09 4 0.1244210E-09 5 0.1210917E-09 6 0.9402495E-10 7 0.8948682E-10 8 0.8350072E-10 9 0.0000000E+00 v, j, mj = 0 5 -4 0 0.1085577E-12 1 0.1537987E-10 2 0.1324978E-09 3 0.2540802E-09 4 0.3317761E-09 5 0.1210328E-09 6 0.9561646E-10 7 0.1201287E-09 8 0.1237207E-09 9 0.0000000E+00 v, j, mj = 0 5 -3 0 0.1317865E-14 1 0.6934417E-10 2 0.3670418E-09 3 0.2922454E-09 4 0.2328485E-09 5 0.1092675E-09 6 0.1491141E-09 7 0.1942642E-09 8 0.4080127E-09 9 0.0000000E+00 v, j, mj = 0 5 -2 0 0.1366548E-09 1 0.8313788E-09 2 0.1801765E-08 3 0.4556966E-09 4 0.9513962E-09 5 0.4855700E-09 6 0.7609666E-09 7 0.1214341E-08 8 0.1756239E-08 9 0.0000000E+00 v, j, mj = 0 5 -1 0 0.4956358E-14 1 0.1366066E-07 2 0.5496605E-08 3 0.7302262E-08 4 0.2932076E-08 5 0.1848411E-08 6 0.2659513E-08 7 0.1559612E-08 8 0.2492617E-08 9 0.0000000E+00 v, j, mj = 0 5 0 0 0.8004617E-14 1 0.8109972E-07 2 0.5457385E-07 3 0.3172700E-07 4 0.2445762E-07 5 0.5728124E-08 6 0.6038147E-08 7 0.7245834E-08 8 0.9956027E-08 9 0.0000000E+00 v, j, mj = 0 5 1 0 0.2053042E-06 1 0.1070303E-06 2 0.2509775E-06 3 0.4204057E-06 4 0.2066486E-06 5 0.3889511E-07 6 0.3347703E-07 7 0.1214195E-07 8 0.9865071E-08 9 0.0000000E+00 v, j, mj = 0 5 2 0 0.3862878E-13 1 0.8101993E-06 2 0.1462284E-05 3 0.2395968E-05 4 0.1020691E-05 5 0.1859606E-06 6 0.5980495E-07 7 0.2366563E-07 8 0.2168176E-07 9 0.0000000E+00 v, j, mj = 0 5 3 0 0.6785181E-12 1 0.1850041E-06 2 0.6453792E-05 3 0.1132969E-04 4 0.4255663E-05 5 0.8809545E-06 6 0.2103939E-06 7 0.6333357E-07 8 0.4057571E-07 9 0.0000000E+00 v, j, mj = 0 5 4 0 0.7420896E-07 1 0.4653588E-05 2 0.4803469E-05 3 0.1381448E-04 4 0.2060821E-04 5 0.6013242E-05 6 0.1188503E-05 7 0.1468667E-06 8 0.8343191E-07 9 0.0000000E+00 v, j, mj = 0 5 5 0 0.3118368E-11 1 0.2850745E-04 2 0.3094902E-04 3 0.1721940E-04 4 0.5468076E-04 5 0.3719643E-04 6 0.4321138E-05 7 0.2781160E-06 8 0.1082238E-06 9 0.0000000E+00 v, j, mj = 0 7 -7 0 0.1547648E-13 1 0.1615677E-11 2 0.1551005E-11 3 0.1183483E-11 4 0.3297236E-11 5 0.7092428E-11 6 0.1003825E-10 7 0.9854582E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.2408641E-13 1 0.7812566E-12 2 0.1111862E-11 3 0.3013558E-11 4 0.1014111E-10 5 0.1571409E-10 6 0.3342547E-10 7 0.8634017E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.2237881E-12 1 0.3522314E-12 2 0.4915521E-12 3 0.3453462E-12 4 0.9839783E-12 5 0.6275926E-11 6 0.6082413E-11 7 0.7287182E-12 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.8827388E-14 1 0.2130046E-11 2 0.1440393E-11 3 0.1422775E-11 4 0.1240985E-11 5 0.1100783E-10 6 0.5540623E-10 7 0.2003505E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.6349716E-16 1 0.9272696E-11 2 0.1078423E-10 3 0.5477766E-11 4 0.8803183E-11 5 0.2630943E-10 6 0.9487359E-10 7 0.2389560E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.1636615E-10 1 0.4072892E-10 2 0.9906854E-10 3 0.3421970E-10 4 0.5138311E-10 5 0.1295823E-09 6 0.2121526E-09 7 0.9280678E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.5583983E-15 1 0.1500751E-09 2 0.1069496E-09 3 0.3025973E-09 4 0.5349123E-09 5 0.7578208E-09 6 0.2248585E-08 7 0.3158222E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1285913E-15 1 0.1847823E-08 2 0.7294179E-09 3 0.2986394E-08 4 0.2717800E-08 5 0.3181202E-08 6 0.4699353E-08 7 0.8277455E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.2072273E-08 1 0.6827276E-08 2 0.6319425E-08 3 0.2159150E-07 4 0.3426245E-07 5 0.1108687E-07 6 0.3168376E-07 7 0.1605993E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1307000E-14 1 0.7258421E-07 2 0.1330112E-06 3 0.9294315E-06 4 0.5220600E-06 5 0.3910124E-07 6 0.3525130E-07 7 0.2956233E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3341110E-13 1 0.5968830E-06 2 0.8900946E-05 3 0.3679352E-04 4 0.1223168E-04 5 0.7672751E-06 6 0.1441991E-06 7 0.4819572E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2190512E-07 1 0.1147758E-04 2 0.3305462E-03 3 0.9000680E-03 4 0.2483630E-03 5 0.8456475E-05 6 0.1994330E-06 7 0.8251253E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2084276E-12 1 0.2206942E-03 2 0.5591145E-02 3 0.1280432E-01 4 0.3017765E-02 5 0.9660157E-04 6 0.4395548E-06 7 0.6145654E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2416639E-13 1 0.7542782E-02 2 0.3525988E-01 3 0.9043341E-01 4 0.2164168E-01 5 0.7003957E-03 6 0.2219178E-05 7 0.6073141E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.2784677E-01 1 0.3635160E+00 2 0.9722045E-01 3 0.2382936E+00 4 0.9027248E-01 5 0.2744922E-02 6 0.8245555E-05 7 0.7171290E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1435456E-15 1 0.7679920E-13 2 0.5538566E-12 3 0.2100448E-12 4 0.1775752E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1720840E-15 1 0.4213815E-13 2 0.1031344E-11 3 0.2330162E-11 4 0.1897956E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.7501209E-16 1 0.5221464E-13 2 0.6174339E-12 3 0.1116610E-11 4 0.1731645E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.2568074E-17 1 0.1088400E-13 2 0.2798533E-12 3 0.8671712E-12 4 0.4496442E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.5019754E-13 1 0.1939810E-12 2 0.3618754E-12 3 0.4639069E-12 4 0.3771933E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.8759035E-16 1 0.8704172E-13 2 0.2154089E-12 3 0.2449114E-12 4 0.3293031E-14 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.8997386E-17 1 0.9499394E-13 2 0.1629300E-12 3 0.1016564E-11 4 0.2252641E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.1133873E-13 1 0.2161988E-12 2 0.1675047E-11 3 0.7062507E-11 4 0.8582051E-13 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.6408068E-16 1 0.4385870E-12 2 0.3866583E-11 3 0.4854208E-10 4 0.3698180E-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 0 0 0.9739269E-17 1 0.1975168E-11 2 0.5260296E-10 3 0.2244808E-09 4 0.7998525E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.1597659E-10 1 0.1282438E-10 2 0.6086792E-09 3 0.1398757E-08 4 0.5544394E-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 0.3546558E-17 1 0.1299650E-09 2 0.1268895E-08 3 0.5144228E-08 4 0.1164223E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.8286605E-16 1 0.1701954E-08 2 0.1152759E-08 3 0.1683120E-07 4 0.1555812E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.2103058E-08 1 0.2006387E-08 2 0.2802085E-07 3 0.1498814E-06 4 0.2835913E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.3091985E-16 1 0.5397690E-07 2 0.9225704E-07 3 0.1714146E-06 4 0.8596120E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2661533E-16 1 0.3561118E-07 2 0.2177735E-06 3 0.2926166E-06 4 0.7397763E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.1208941E-06 1 0.3445073E-06 2 0.2282424E-06 3 0.5265435E-06 4 0.1625153E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.2350382E-16 1 0.1652260E-05 2 0.1633014E-05 3 0.2231903E-05 4 0.5407108E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1467477E-15 1 0.1887875E-05 2 0.2047335E-05 3 0.1119073E-05 4 0.1165445E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.1209466E-14 1 0.3592395E-09 2 0.6602338E-09 3 0.5484373E-09 4 0.1206644E-08 5 0.7190458E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.6765285E-16 1 0.2740111E-08 2 0.4640376E-08 3 0.1617403E-08 4 0.1071273E-08 5 0.5753004E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.5944715E-07 1 0.1680357E-06 2 0.1839487E-07 3 0.1035918E-07 4 0.1267084E-07 5 0.3730646E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2642494E-16 1 0.1281824E-11 2 0.2655588E-11 3 0.8359463E-10 4 0.2269157E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.2334430E-11 1 0.2909030E-11 2 0.1122615E-10 3 0.5700383E-10 4 0.5244968E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.8360302E-16 1 0.3657962E-10 2 0.1338931E-09 3 0.2781204E-09 4 0.2844516E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.2016899E-16 1 0.2834857E-08 2 0.1383822E-08 3 0.2018565E-08 4 0.1046060E-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 0.1080257E-07 1 0.1513523E-07 2 0.5549001E-08 3 0.2110382E-08 4 0.1188351E-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 0.1496596E-16 1 0.6599218E-08 2 0.1016015E-07 3 0.1516814E-07 4 0.2314056E-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 0.1182803E-15 1 0.6578314E-07 2 0.2833124E-06 3 0.7119953E-07 4 0.4540310E-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 = 0.9990557 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.389347 average diffraction energy (ev) = 0.041180 the reaction probability = 0.9443441D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41185958D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9993968E+00 0.4986256E-01 0.3891378E+00 1 0.1840337E-05 0.2128514E-01 0.6673768E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.1677650E-05 0 26 1 0 0.6898503E-06 0 31 1 1 0.5191735E-05 0 13 3 -3 0.7345764E-06 0 17 3 -2 0.7573196E-07 0 22 3 -1 0.3476220E-06 0 27 3 0 0.9242248E-06 0 32 3 1 0.3202843E-05 0 36 3 2 0.1277531E-04 0 40 3 3 0.3511357E-04 0 7 5 -5 0.2528857E-07 0 10 5 -4 0.1301370E-07 0 14 5 -3 0.1382309E-07 0 18 5 -2 0.2460105E-07 0 23 5 -1 0.1692841E-06 0 28 5 0 0.1052596E-05 0 33 5 1 0.5854366E-05 0 37 5 2 0.2927641E-04 0 41 5 3 0.1097828E-03 0 44 5 4 0.2718923E-03 0 47 5 5 0.9396965E-03 0 3 7 -7 0.7938087E-10 0 5 7 -6 0.8332493E-10 0 8 7 -5 0.8654869E-10 0 11 7 -4 0.1032620E-09 0 15 7 -3 0.3621522E-09 0 19 7 -2 0.2078853E-08 0 24 7 -1 0.1158887E-07 0 29 7 0 0.5633962E-07 0 34 7 1 0.5568881E-06 0 38 7 2 0.1854296E-04 0 42 7 3 0.4551727E-03 0 45 7 4 0.6597781E-02 0 48 7 5 0.5053991E-01 0 50 7 6 0.2369590E+00 0 52 7 7 0.7033891E+00 0 1 9 -9 0.3940673E-11 0 2 9 -8 0.6399246E-11 0 4 9 -7 0.8767279E-11 0 6 9 -6 0.8681318E-11 0 9 9 -5 0.4641201E-11 0 12 9 -4 0.2911822E-11 0 16 9 -3 0.1156711E-10 0 20 9 -2 0.5931092E-10 0 25 9 -1 0.2359470E-09 0 30 9 0 0.1041320E-08 0 35 9 1 0.3494210E-08 0 39 9 2 0.1556585E-07 0 43 9 3 0.5841767E-07 0 46 9 4 0.2551642E-06 0 49 9 5 0.7710837E-06 0 51 9 6 0.2884954E-05 0 53 9 7 0.5083887E-05 0 54 9 8 0.4471278E-05 0 55 9 9 0.4642387E-05 1 21 1 -1 0.4926811E-08 1 26 1 0 0.1048707E-07 1 31 1 1 0.6982652E-06 1 13 3 -3 0.3902215E-09 1 17 3 -2 0.4561935E-09 1 22 3 -1 0.1781202E-08 1 27 3 0 0.1619294E-07 1 32 3 1 0.1271310E-06 1 36 3 2 0.1015927E-06 1 40 3 3 0.7572616E-06 1 7 5 -5 0.7288462E-12 1 10 5 -4 0.8111422E-12 1 14 5 -3 0.1009128E-11 1 18 5 -2 0.1247600E-10 1 23 5 -1 0.1759852E-09 1 28 5 0 0.4205512E-09 1 33 5 1 0.5338262E-08 1 37 5 2 0.1840486E-08 1 41 5 3 0.1013970E-07 1 44 5 4 0.1944475E-07 1 47 5 5 0.8447726E-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 0.6509469E-13 1 0.2301183E-06 2 0.3511362E-06 3 0.4618470E-06 4 0.1775503E-06 5 0.3184493E-06 6 0.1076633E-06 7 0.1958569E-07 8 0.7592329E-08 9 0.3707500E-08 v, j, mj = 0 1 0 0 0.1113709E-13 1 0.1531402E-07 2 0.9952255E-07 3 0.1854842E-06 4 0.1411103E-06 5 0.1790165E-06 6 0.4799408E-07 7 0.1637053E-07 8 0.3674691E-08 9 0.1363479E-08 v, j, mj = 0 1 1 0 0.7001982E-07 1 0.2398854E-06 2 0.7738025E-06 3 0.9802666E-06 4 0.1471366E-05 5 0.4816846E-06 6 0.9420263E-06 7 0.2114593E-06 8 0.1574221E-07 9 0.5482118E-08 v, j, mj = 0 3 -3 0 0.4803863E-13 1 0.1692246E-06 2 0.1717797E-06 3 0.1753761E-06 4 0.1126103E-06 5 0.7706888E-07 6 0.2172324E-07 7 0.5058592E-08 8 0.6489248E-09 9 0.1086074E-08 v, j, mj = 0 3 -2 0 0.4273072E-09 1 0.3221718E-08 2 0.1653978E-07 3 0.1212049E-07 4 0.2272181E-07 5 0.7752121E-08 6 0.7206360E-08 7 0.2721367E-08 8 0.1528349E-08 9 0.1492654E-08 v, j, mj = 0 3 -1 0 0.2832309E-13 1 0.8654625E-07 2 0.1808905E-07 3 0.1077108E-06 4 0.5845313E-07 5 0.3819780E-07 6 0.2665314E-07 7 0.6902267E-08 8 0.2889259E-08 9 0.2180241E-08 v, j, mj = 0 3 0 0 0.5850632E-13 1 0.9366644E-07 2 0.2796839E-06 3 0.3788104E-06 4 0.1669499E-07 5 0.9304991E-07 6 0.3847781E-07 7 0.1536195E-07 8 0.4321269E-08 9 0.4158139E-08 v, j, mj = 0 3 1 0 0.3732290E-06 1 0.2257367E-07 2 0.6547295E-06 3 0.9055811E-06 4 0.6821823E-06 5 0.4570670E-06 6 0.5471548E-07 7 0.3417368E-07 8 0.1291887E-07 9 0.5672213E-08 v, j, mj = 0 3 2 0 0.1942231E-12 1 0.3493298E-06 2 0.1594188E-05 3 0.1785062E-05 4 0.4298918E-05 5 0.2819198E-05 6 0.1760106E-05 7 0.1404097E-06 8 0.1615256E-07 9 0.1194630E-07 v, j, mj = 0 3 3 0 0.3031555E-11 1 0.2019948E-05 2 0.4037165E-05 3 0.5745568E-05 4 0.5351835E-05 5 0.8938067E-05 6 0.6727029E-05 7 0.2195268E-05 8 0.8014307E-07 9 0.1854068E-07 v, j, mj = 0 5 -5 0 0.2123388E-08 1 0.2607382E-08 2 0.6050789E-08 3 0.6459431E-08 4 0.4334906E-08 5 0.2513106E-08 6 0.6667749E-09 7 0.2162374E-09 8 0.1555282E-09 9 0.1610235E-09 v, j, mj = 0 5 -4 0 0.4451074E-12 1 0.2738381E-09 2 0.1194739E-08 3 0.3090489E-08 4 0.5426119E-08 5 0.2208394E-08 6 0.3973056E-09 7 0.1085469E-09 8 0.2396284E-09 9 0.7419319E-10 v, j, mj = 0 5 -3 0 0.3153816E-14 1 0.5838318E-08 2 0.3872333E-08 3 0.9991463E-09 4 0.6781899E-09 5 0.3509185E-09 6 0.6291762E-09 7 0.3191640E-09 8 0.7528253E-09 9 0.3830186E-09 v, j, mj = 0 5 -2 0 0.1366804E-09 1 0.2365979E-08 2 0.9516382E-08 3 0.4123228E-08 4 0.3530540E-08 5 0.1348024E-08 6 0.1058734E-08 7 0.9150201E-09 8 0.9114811E-09 9 0.6949857E-09 v, j, mj = 0 5 -1 0 0.5842921E-13 1 0.8151511E-07 2 0.1689610E-07 3 0.3732051E-07 4 0.1937216E-07 5 0.2733298E-08 6 0.2391954E-08 7 0.2013035E-08 8 0.4761003E-08 9 0.2280865E-08 v, j, mj = 0 5 0 0 0.3996212E-13 1 0.3781157E-06 2 0.1787094E-06 3 0.2966790E-06 4 0.1571035E-06 5 0.2221518E-07 6 0.9308029E-08 7 0.5488623E-08 8 0.3807067E-08 9 0.1169776E-08 v, j, mj = 0 5 1 0 0.5174831E-06 1 0.1791372E-06 2 0.9285357E-06 3 0.3236137E-05 4 0.8717450E-06 5 0.7310708E-07 6 0.1708686E-07 7 0.6485889E-08 8 0.1775353E-07 9 0.6894241E-08 v, j, mj = 0 5 2 0 0.2154892E-12 1 0.8012923E-06 2 0.9361936E-05 3 0.1381896E-04 4 0.4277462E-05 5 0.7964339E-06 6 0.1331708E-06 7 0.4503410E-07 8 0.3363815E-07 9 0.8485170E-08 v, j, mj = 0 5 3 0 0.4167042E-11 1 0.1576689E-05 2 0.2959873E-04 3 0.3641152E-04 4 0.3095945E-04 5 0.9678169E-05 6 0.1390329E-05 7 0.8435272E-07 8 0.6619658E-07 9 0.1737959E-07 v, j, mj = 0 5 4 0 0.8913556E-07 1 0.2357442E-04 2 0.1564027E-04 3 0.3059511E-04 4 0.1275768E-03 5 0.6492671E-04 6 0.8913480E-05 7 0.4007713E-06 8 0.1513559E-06 9 0.2415077E-07 v, j, mj = 0 5 5 0 0.2010433E-10 1 0.1401227E-03 2 0.9824884E-04 3 0.1583003E-03 4 0.2280776E-03 5 0.2763914E-03 6 0.3725247E-04 7 0.1108631E-05 8 0.1850809E-06 9 0.9410090E-08 v, j, mj = 0 7 -7 0 0.2271020E-13 1 0.1132756E-10 2 0.7876053E-11 3 0.1004637E-10 4 0.7786783E-11 5 0.7360700E-11 6 0.2162397E-10 7 0.1333673E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1281427E-12 1 0.5348926E-11 2 0.1982064E-10 3 0.8212019E-11 4 0.1319482E-10 5 0.5148704E-11 6 0.1432505E-10 7 0.1714662E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.1292224E-11 1 0.2542560E-11 2 0.3586838E-11 3 0.2502790E-11 4 0.3759427E-11 5 0.9721303E-11 6 0.1742847E-10 7 0.4571508E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5247469E-13 1 0.1837127E-11 2 0.3535534E-11 3 0.5492495E-11 4 0.3841422E-11 5 0.1153127E-10 6 0.4328715E-10 7 0.3368453E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.1782104E-15 1 0.1905015E-10 2 0.4516741E-10 3 0.1829969E-10 4 0.1545818E-10 5 0.3740475E-10 6 0.7357673E-10 7 0.1531951E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8688310E-11 1 0.2255787E-09 2 0.2835148E-09 3 0.1233914E-09 4 0.1254936E-09 5 0.2093983E-09 6 0.5700074E-09 7 0.5327809E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.5079468E-14 1 0.2342022E-08 2 0.2123232E-08 3 0.1437497E-08 4 0.1269707E-08 5 0.9467082E-09 6 0.1060888E-08 7 0.2408813E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1195692E-14 1 0.1821217E-07 2 0.8298762E-08 3 0.4402050E-08 4 0.1089190E-07 5 0.3081926E-08 6 0.5076138E-08 7 0.6376669E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1499600E-07 1 0.9253705E-08 2 0.3085268E-07 3 0.2306214E-06 4 0.2279367E-06 5 0.1335937E-07 6 0.1053079E-07 7 0.1933755E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1154222E-13 1 0.2495948E-06 2 0.2108573E-05 3 0.1057266E-04 4 0.5128878E-05 5 0.4155004E-06 6 0.3685017E-07 7 0.3090733E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.4037477E-12 1 0.3392826E-05 2 0.8844427E-04 3 0.2522459E-03 4 0.1029237E-03 5 0.7991418E-05 6 0.1203290E-06 7 0.5424373E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1992193E-07 1 0.6330403E-04 2 0.1525764E-02 3 0.3512981E-02 4 0.1393600E-02 5 0.1007800E-03 6 0.1248137E-05 7 0.8342768E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.2148910E-11 1 0.2015225E-03 2 0.9101135E-02 3 0.2828555E-01 4 0.1206223E-01 5 0.8787228E-03 6 0.1068962E-04 7 0.6501730E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.1067145E-12 1 0.2527858E-01 2 0.2017030E-01 3 0.1260545E+00 4 0.6077531E-01 5 0.4629985E-02 6 0.5019996E-04 7 0.8638445E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.5186945E-01 1 0.1814817E+00 2 0.2593635E+00 3 0.6013500E-01 4 0.1359144E+00 5 0.1447893E-01 6 0.1458206E-03 7 0.2503750E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.6651910E-16 1 0.7790967E-13 2 0.5493425E-12 3 0.7095864E-12 4 0.2566308E-11 5 0.3745979E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.3079208E-14 1 0.8793255E-14 2 0.2143878E-12 3 0.2421254E-11 4 0.3731413E-11 5 0.2031887E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.1653163E-15 1 0.1091205E-12 2 0.4608046E-12 3 0.2518069E-11 4 0.5622996E-11 5 0.5612309E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.3090141E-17 1 0.3626807E-13 2 0.5216751E-12 3 0.2169793E-11 4 0.5939672E-11 5 0.1390664E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.7526068E-13 1 0.2860905E-12 2 0.1744032E-12 3 0.1100969E-11 4 0.2978101E-11 5 0.2637678E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.5555649E-16 1 0.4680424E-13 2 0.5928360E-12 3 0.6120800E-12 4 0.1604685E-11 5 0.5536108E-13 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.1869840E-16 1 0.3472208E-12 2 0.4552206E-12 3 0.3156450E-11 4 0.7270330E-11 5 0.3378718E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.3453211E-13 1 0.5745673E-12 2 0.3193998E-11 3 0.6055675E-11 4 0.4733989E-10 5 0.2112261E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1147230E-16 1 0.9604451E-12 2 0.5782242E-11 3 0.3223308E-10 4 0.1929966E-09 5 0.3974596E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.5395709E-17 1 0.5444856E-10 2 0.4373264E-10 3 0.1447290E-09 4 0.7819922E-09 5 0.1641800E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2431752E-10 1 0.3338165E-10 2 0.2374423E-09 3 0.5858227E-09 4 0.2594467E-08 5 0.1877897E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.8282981E-17 1 0.9549310E-10 2 0.1160079E-08 3 0.3258166E-08 4 0.1091603E-07 5 0.1360774E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.9431145E-16 1 0.1308563E-08 2 0.8276173E-08 3 0.1381360E-07 4 0.3477285E-07 5 0.2464825E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.4052077E-08 1 0.1079112E-07 2 0.6647364E-07 3 0.5681455E-07 4 0.1164713E-06 5 0.5615563E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.1098749E-15 1 0.5620853E-07 2 0.9742298E-07 3 0.3393682E-06 4 0.2766968E-06 5 0.1387175E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.2744264E-17 1 0.7190364E-06 2 0.1684150E-05 3 0.4339791E-06 4 0.4515299E-07 5 0.2635660E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.3118027E-05 1 0.5293250E-06 2 0.7694760E-06 3 0.3710047E-06 4 0.2947437E-06 5 0.1310614E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.3228598E-15 1 0.1928389E-05 2 0.1551990E-05 3 0.5993039E-06 4 0.3873265E-06 5 0.4268049E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.1508605E-14 1 0.2222516E-05 2 0.1067615E-05 3 0.3521811E-06 4 0.9983016E-06 5 0.1773218E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.4556276E-13 1 0.4548874E-09 2 0.1414378E-08 3 0.4680531E-09 4 0.1245421E-08 5 0.1284097E-08 6 0.5992894E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2938172E-14 1 0.5592105E-09 2 0.1306084E-08 3 0.3445593E-08 4 0.4449083E-08 5 0.6487367E-09 6 0.7835706E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.1456395E-06 1 0.3325052E-06 2 0.1905469E-06 3 0.8106899E-08 4 0.1535295E-07 5 0.5775895E-08 6 0.3378820E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.2503222E-14 1 0.6844030E-11 2 0.2534457E-10 3 0.2041240E-10 4 0.2230796E-09 5 0.1145384E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.5087717E-11 1 0.1751640E-10 2 0.1644487E-10 3 0.1234820E-09 4 0.2188326E-09 5 0.7482989E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.8788365E-14 1 0.1577220E-09 2 0.4940082E-09 3 0.2916241E-09 4 0.7420141E-09 5 0.9582530E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.1111279E-14 1 0.1799329E-08 2 0.7381678E-08 3 0.3411783E-08 4 0.3482009E-08 5 0.1181392E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.1457325E-07 1 0.7601349E-07 2 0.2632010E-07 3 0.4072436E-08 4 0.5741057E-08 5 0.4106794E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.1894168E-15 1 0.3523533E-07 2 0.3587868E-07 3 0.1868671E-07 4 0.1125993E-07 5 0.5320184E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.5531733E-13 1 0.4604988E-06 2 0.2303397E-06 3 0.2435520E-07 4 0.3928408E-07 5 0.2783712E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1134871E-12 1 0.2969446E-12 2 0.3102545E-12 3 0.8159895E-14 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 0.1826254E-16 1 0.7938546E-13 2 0.6975890E-12 3 0.3414946E-13 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.3034602E-16 1 0.1531305E-12 2 0.7789406E-12 3 0.7702694E-13 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.3943181E-12 1 0.1562600E-11 2 0.1043388E-10 3 0.8520706E-13 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.6451837E-16 1 0.1738257E-10 2 0.1578318E-09 3 0.7708162E-12 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 0.5475027E-17 1 0.1798718E-09 2 0.2398398E-09 3 0.8395031E-12 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 0.2407237E-09 1 0.4366105E-08 2 0.7248179E-09 3 0.6614561E-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 0.2186222E-17 1 0.6884947E-09 2 0.1133816E-08 3 0.1817495E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1790464E-16 1 0.6716424E-08 2 0.3399718E-08 3 0.2356279E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.5194964E-09 1 0.3547683E-08 2 0.1532710E-07 3 0.5046952E-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 0.4473427E-16 1 0.4507878E-07 2 0.3921574E-07 3 0.1827339E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9993987 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.389137 average diffraction energy (ev) = 0.049863 the reaction probability = 0.6013235D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40614530D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9988172E+00 0.5363797E-01 0.3881941E+00 1 0.2650877E-05 0.3441892E-01 0.8495904E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.3129794E-04 0 26 1 0 0.1850768E-04 0 31 1 1 0.7996913E-04 0 13 3 -3 0.1693055E-04 0 17 3 -2 0.3786039E-05 0 22 3 -1 0.2472184E-05 0 27 3 0 0.1173112E-04 0 32 3 1 0.3716273E-04 0 36 3 2 0.1576459E-03 0 40 3 3 0.3050144E-03 0 7 5 -5 0.2386523E-05 0 10 5 -4 0.4131521E-06 0 14 5 -3 0.4893876E-06 0 18 5 -2 0.3571293E-06 0 23 5 -1 0.8677139E-06 0 28 5 0 0.5857185E-05 0 33 5 1 0.3511154E-04 0 37 5 2 0.1658391E-03 0 41 5 3 0.5704791E-03 0 44 5 4 0.1416888E-02 0 47 5 5 0.3438815E-02 0 3 7 -7 0.7102550E-08 0 5 7 -6 0.6495609E-08 0 8 7 -5 0.2585394E-08 0 11 7 -4 0.4129356E-09 0 15 7 -3 0.1794819E-08 0 19 7 -2 0.1015172E-07 0 24 7 -1 0.6735991E-07 0 29 7 0 0.3338695E-06 0 34 7 1 0.6791129E-05 0 38 7 2 0.1666237E-03 0 42 7 3 0.2550428E-02 0 45 7 4 0.2223678E-01 0 48 7 5 0.9865667E-01 0 50 7 6 0.2787859E+00 0 52 7 7 0.5900654E+00 0 1 9 -9 0.7007538E-11 0 2 9 -8 0.9535821E-11 0 4 9 -7 0.1639370E-10 0 6 9 -6 0.1835691E-10 0 9 9 -5 0.1662035E-10 0 12 9 -4 0.2139152E-10 0 16 9 -3 0.5539711E-10 0 20 9 -2 0.2486428E-09 0 25 9 -1 0.1009309E-08 0 30 9 0 0.3507937E-08 0 35 9 1 0.1068239E-07 0 39 9 2 0.4702026E-07 0 43 9 3 0.3009634E-06 0 46 9 4 0.1195022E-05 0 49 9 5 0.3747658E-05 0 51 9 6 0.1973993E-04 0 53 9 7 0.8948229E-05 0 54 9 8 0.9298431E-05 0 55 9 9 0.2801632E-05 1 21 1 -1 0.1307358E-07 1 26 1 0 0.3964304E-07 1 31 1 1 0.9603199E-06 1 13 3 -3 0.9965229E-09 1 17 3 -2 0.7412129E-09 1 22 3 -1 0.4777466E-08 1 27 3 0 0.2475180E-07 1 32 3 1 0.8902764E-07 1 36 3 2 0.2140262E-06 1 40 3 3 0.7543349E-06 1 7 5 -5 0.1221339E-10 1 10 5 -4 0.1122894E-10 1 14 5 -3 0.2581595E-10 1 18 5 -2 0.8038303E-10 1 23 5 -1 0.1003550E-08 1 28 5 0 0.1637590E-08 1 33 5 1 0.1441220E-08 1 37 5 2 0.4929241E-08 1 41 5 3 0.2426150E-07 1 44 5 4 0.1282521E-06 1 47 5 5 0.3875298E-06 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 0.9089101E-13 1 0.3334546E-05 2 0.3375372E-05 3 0.6149548E-05 4 0.7549873E-05 5 0.7447177E-05 6 0.2773895E-05 7 0.6102633E-06 8 0.5294640E-07 9 0.4318699E-08 v, j, mj = 0 1 0 0 0.2772604E-13 1 0.2762031E-06 2 0.2734879E-05 3 0.4396995E-05 4 0.5526551E-05 5 0.4176699E-05 6 0.1241925E-05 7 0.1453385E-06 8 0.7516029E-08 9 0.1574960E-08 v, j, mj = 0 1 1 0 0.1218196E-05 1 0.1723298E-05 2 0.2874689E-05 3 0.1252306E-04 4 0.2184570E-04 5 0.2189054E-04 6 0.1443415E-04 7 0.3116271E-05 8 0.3217564E-06 9 0.2147489E-07 v, j, mj = 0 3 -3 0 0.2017715E-12 1 0.3077745E-05 2 0.2690494E-05 3 0.4233890E-05 4 0.3821035E-05 5 0.2235484E-05 6 0.7473305E-06 7 0.1177312E-06 8 0.5537974E-08 9 0.1304259E-08 v, j, mj = 0 3 -2 0 0.2218849E-08 1 0.4326465E-06 2 0.6158565E-06 3 0.1490737E-05 4 0.8341529E-06 5 0.3406918E-06 6 0.5693224E-07 7 0.9316391E-08 8 0.1969757E-08 9 0.1516959E-08 v, j, mj = 0 3 -1 0 0.1753566E-13 1 0.7278806E-06 2 0.9050377E-07 3 0.7858255E-06 4 0.2243820E-06 5 0.4337547E-06 6 0.1475613E-06 7 0.5137952E-07 8 0.7734449E-08 9 0.3162290E-08 v, j, mj = 0 3 0 0 0.9802413E-13 1 0.6814066E-06 2 0.3165349E-05 3 0.4575306E-05 4 0.1105447E-05 5 0.1496937E-05 6 0.5926510E-06 7 0.9933053E-07 8 0.7582503E-08 9 0.7108237E-08 v, j, mj = 0 3 1 0 0.3429149E-05 1 0.1407137E-05 2 0.1490319E-04 3 0.8238567E-05 4 0.6452942E-05 5 0.2133167E-05 6 0.3566969E-06 7 0.2023672E-06 8 0.3220521E-07 9 0.7308853E-08 v, j, mj = 0 3 2 0 0.2674990E-12 1 0.4510913E-06 2 0.7633593E-05 3 0.3755800E-04 4 0.4238904E-04 5 0.4352184E-04 6 0.2312526E-04 7 0.2902132E-05 8 0.5418419E-07 9 0.1079479E-07 v, j, mj = 0 3 3 0 0.6220467E-11 1 0.1978009E-04 2 0.3389552E-04 3 0.2516108E-04 4 0.4746372E-04 5 0.7823104E-04 6 0.7723398E-04 7 0.2230195E-04 8 0.9297057E-06 9 0.1730820E-07 v, j, mj = 0 5 -5 0 0.2050570E-06 1 0.1941143E-06 2 0.5203296E-06 3 0.5620642E-06 4 0.5391526E-06 5 0.2886838E-06 6 0.7369396E-07 7 0.3061084E-08 8 0.2873473E-09 9 0.7906496E-10 v, j, mj = 0 5 -4 0 0.1163498E-11 1 0.2680733E-07 2 0.7925703E-07 3 0.1312234E-06 4 0.1140812E-06 5 0.4949566E-07 6 0.1137701E-07 7 0.6131366E-09 8 0.1759690E-09 9 0.1202886E-09 v, j, mj = 0 5 -3 0 0.1493238E-13 1 0.9023655E-07 2 0.1415862E-06 3 0.1459311E-06 4 0.8086233E-07 5 0.2235349E-07 6 0.7065757E-08 7 0.6984336E-09 8 0.3576948E-09 9 0.2959827E-09 v, j, mj = 0 5 -2 0 0.7513572E-09 1 0.2146035E-07 2 0.1407546E-06 3 0.1211081E-06 4 0.5359651E-07 5 0.1371298E-07 6 0.2572436E-08 7 0.1214866E-08 8 0.1132104E-08 9 0.8260541E-09 v, j, mj = 0 5 -1 0 0.2815187E-12 1 0.1475256E-06 2 0.1914112E-06 3 0.3770870E-06 4 0.1314451E-06 5 0.7881687E-08 6 0.7133324E-08 7 0.1525586E-08 8 0.1537167E-08 9 0.2167033E-08 v, j, mj = 0 5 0 0 0.1752610E-12 1 0.1058742E-05 2 0.6014987E-06 3 0.3391712E-05 4 0.7138950E-06 5 0.6096915E-07 6 0.1957250E-07 7 0.4731856E-08 8 0.2971870E-08 9 0.3091869E-08 v, j, mj = 0 5 1 0 0.1090833E-05 1 0.9406260E-07 2 0.9734525E-05 3 0.2129228E-04 4 0.2565079E-05 5 0.2532181E-06 6 0.5003661E-07 7 0.1547912E-07 8 0.9993918E-08 9 0.6031293E-08 v, j, mj = 0 5 2 0 0.1052247E-11 1 0.5373470E-06 2 0.7085856E-04 3 0.6343314E-04 4 0.2376416E-04 5 0.6252113E-05 6 0.9222076E-06 7 0.4255332E-07 8 0.1991131E-07 9 0.9087358E-08 v, j, mj = 0 5 3 0 0.1655304E-10 1 0.1922194E-04 2 0.1165256E-03 3 0.1629371E-03 4 0.1686365E-03 5 0.8935446E-04 6 0.1325035E-04 7 0.4852415E-06 8 0.5244350E-07 9 0.1551096E-07 v, j, mj = 0 5 4 0 0.5211149E-06 1 0.7864931E-04 2 0.8033882E-04 3 0.8346026E-04 4 0.5947785E-03 5 0.4931040E-03 6 0.8222622E-04 7 0.3595440E-05 8 0.1982035E-06 9 0.1561742E-07 v, j, mj = 0 5 5 0 0.9881329E-10 1 0.5013455E-03 2 0.2535175E-03 3 0.5290317E-03 4 0.5496978E-03 5 0.1246348E-02 6 0.3427793E-03 7 0.1583583E-04 8 0.2460697E-06 9 0.1329242E-07 v, j, mj = 0 7 -7 0 0.7159543E-13 1 0.3471197E-09 2 0.1175388E-08 3 0.2630461E-08 4 0.2494910E-08 5 0.3774677E-09 6 0.3109042E-10 7 0.1906394E-10 8 0.2697823E-10 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.4366838E-12 1 0.2080612E-09 2 0.1340502E-08 3 0.2728264E-08 4 0.1903597E-08 5 0.2501687E-09 6 0.2221965E-10 7 0.2450091E-10 8 0.1785926E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.6925443E-09 1 0.6383441E-09 2 0.7206602E-09 3 0.2527818E-09 4 0.1473733E-09 5 0.3944302E-10 6 0.1632907E-10 7 0.4071572E-10 8 0.3720232E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.1996770E-12 1 0.3137341E-10 2 0.3895673E-10 3 0.2047195E-10 4 0.7056230E-10 5 0.6261919E-10 6 0.6681102E-10 7 0.7636021E-10 8 0.4558110E-10 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.7505120E-15 1 0.2918128E-09 2 0.6569991E-09 3 0.2133383E-09 4 0.1488441E-09 5 0.4010074E-10 6 0.3878589E-10 7 0.2896895E-09 8 0.1152475E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.8566037E-11 1 0.1914719E-08 2 0.4431682E-08 3 0.8624992E-09 4 0.5218571E-09 5 0.4501512E-09 6 0.4303178E-09 7 0.8774401E-09 8 0.6544827E-09 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.2813194E-13 1 0.2965823E-07 2 0.2134745E-07 3 0.5525354E-08 4 0.3435073E-08 5 0.1489653E-08 6 0.1383124E-08 7 0.2768057E-08 8 0.1752944E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.1416102E-13 1 0.9439208E-07 2 0.4560077E-07 3 0.7113371E-07 4 0.9096025E-07 5 0.1161033E-07 6 0.3112422E-08 7 0.1191957E-07 8 0.5140297E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.9435788E-07 1 0.1192056E-07 2 0.5947862E-06 3 0.3668399E-05 4 0.2190562E-05 5 0.1806847E-06 6 0.1041896E-07 7 0.3308838E-07 8 0.6910372E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.1001542E-12 1 0.2193424E-05 2 0.2645678E-04 3 0.9336036E-04 4 0.4050680E-04 5 0.3869834E-05 6 0.1304536E-06 7 0.1006499E-06 8 0.5423560E-08 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.3183732E-11 1 0.1866178E-04 2 0.6040412E-03 3 0.1316769E-02 4 0.5537393E-03 5 0.5574207E-04 6 0.1279851E-05 7 0.1896395E-06 8 0.5186039E-08 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.2464487E-06 1 0.2388855E-03 2 0.5379651E-02 3 0.1129674E-01 4 0.4779259E-02 5 0.5291157E-03 6 0.1267066E-04 7 0.1964959E-06 8 0.8136399E-08 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.1516892E-10 1 0.1736412E-04 2 0.1873290E-01 3 0.4998149E-01 4 0.2639013E-01 5 0.3443263E-02 6 0.9128116E-04 7 0.2422071E-06 8 0.4352373E-08 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.2303266E-12 1 0.3842502E-01 2 0.2926367E-01 3 0.1017558E+00 4 0.9508967E-01 5 0.1388369E-01 6 0.3666303E-03 7 0.1456267E-05 8 0.3713835E-08 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.5364314E-01 1 0.1591813E+00 2 0.2455167E+00 3 0.1522507E-01 4 0.8577383E-01 5 0.2977484E-01 6 0.9468961E-03 7 0.3662016E-05 8 0.2728670E-08 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.3612552E-14 1 0.2201543E-12 2 0.7571076E-12 3 0.9195308E-12 4 0.1097675E-11 5 0.4009458E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.1447962E-12 1 0.8470082E-12 2 0.6015785E-12 3 0.5290373E-12 4 0.3081265E-11 5 0.4332136E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.3654656E-15 1 0.2678896E-12 2 0.4255883E-12 3 0.1041367E-11 4 0.4186187E-11 5 0.1047230E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.3161426E-15 1 0.2814916E-12 2 0.5676787E-12 3 0.3799970E-11 4 0.6708592E-11 5 0.6998860E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.3804367E-12 1 0.1359776E-12 2 0.5935007E-12 3 0.2042644E-11 4 0.5941041E-11 5 0.7526751E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.5395816E-15 1 0.7145523E-12 2 0.5448362E-12 3 0.1303174E-11 4 0.1155236E-11 5 0.1767318E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.7029461E-17 1 0.8941546E-13 2 0.2580566E-11 3 0.9388423E-11 4 0.1135619E-10 5 0.3198250E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.4143463E-12 1 0.3865809E-11 2 0.1402089E-10 3 0.2107611E-10 4 0.6246802E-10 5 0.1467977E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.2444225E-15 1 0.1070974E-10 2 0.2593720E-10 3 0.2392486E-09 4 0.1921871E-09 5 0.5412262E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.9427036E-17 1 0.5348882E-10 2 0.8363669E-10 3 0.7849097E-09 4 0.7949276E-09 5 0.1790974E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2342133E-09 1 0.1651576E-09 2 0.7738304E-09 3 0.1388997E-08 4 0.4920523E-08 5 0.3199669E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1705092E-15 1 0.1453472E-08 2 0.9835398E-08 3 0.1632027E-07 4 0.1232542E-07 5 0.7085700E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1521857E-14 1 0.1001677E-07 2 0.1139667E-06 3 0.9796317E-07 4 0.4408811E-07 5 0.3492859E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.5747920E-08 1 0.3692395E-07 2 0.3528568E-06 3 0.5059331E-06 4 0.1620511E-06 5 0.1315095E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.3395906E-14 1 0.1295696E-06 2 0.1739282E-05 3 0.1542068E-05 4 0.1849800E-06 5 0.1517575E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.4410799E-15 1 0.4324781E-05 2 0.1154965E-04 3 0.3417721E-05 4 0.3663014E-06 5 0.8146837E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.5826079E-05 1 0.1768099E-05 2 0.2981978E-06 3 0.6874180E-06 4 0.2810504E-06 5 0.8738468E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1245490E-13 1 0.2837457E-05 2 0.3635127E-05 3 0.1392961E-05 4 0.1214247E-05 5 0.2186395E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.6476226E-12 1 0.6067100E-06 2 0.4467938E-06 3 0.9870829E-06 4 0.5961637E-06 5 0.1648812E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2838509E-12 1 0.7387496E-09 2 0.2913824E-08 3 0.4788893E-08 4 0.1158922E-08 5 0.2187804E-08 6 0.1285103E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.2166281E-13 1 0.4240346E-08 2 0.1903671E-07 3 0.9499145E-08 4 0.2626865E-08 5 0.3747439E-08 6 0.4925118E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.9006025E-07 1 0.3557338E-06 2 0.2786408E-06 3 0.1959206E-06 4 0.2733626E-07 5 0.1032329E-07 6 0.2304937E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.3139067E-13 1 0.2462493E-10 2 0.1383630E-09 3 0.1729651E-09 4 0.3169175E-09 5 0.3054826E-09 6 0.3813839E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.2911353E-10 1 0.3424757E-10 2 0.1358563E-09 3 0.2130610E-09 4 0.8806917E-10 5 0.2312260E-09 6 0.9639287E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.6067803E-13 1 0.2092619E-09 2 0.4560759E-09 3 0.2181246E-08 4 0.1143252E-08 5 0.7759571E-09 6 0.1161276E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.8660310E-14 1 0.3212138E-08 2 0.4599167E-08 3 0.1163616E-07 4 0.3444762E-08 5 0.1830765E-08 6 0.2879478E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.3004856E-10 1 0.2929092E-07 2 0.3301328E-07 3 0.1267164E-07 4 0.5751683E-08 5 0.8255805E-08 6 0.1426832E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.3169207E-13 1 0.2063393E-07 2 0.1116457E-06 3 0.4169856E-07 4 0.3294147E-07 5 0.7032340E-08 6 0.7413029E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.6979722E-12 1 0.3081989E-06 2 0.1132776E-06 3 0.2659099E-06 4 0.5226314E-07 5 0.1393818E-07 6 0.7463644E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1722311E-12 1 0.4779674E-13 2 0.3389490E-11 3 0.7450546E-11 4 0.1153324E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.1366688E-15 1 0.5560201E-12 2 0.1726149E-11 3 0.7943956E-11 4 0.1002683E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.5774970E-16 1 0.3132617E-12 2 0.1785415E-11 3 0.1888243E-10 4 0.4834783E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.1689049E-12 1 0.2610789E-12 2 0.1517039E-10 3 0.4830090E-10 4 0.1648175E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.8922497E-15 1 0.2002681E-10 2 0.2571447E-09 3 0.6926184E-09 4 0.3375932E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.7821084E-16 1 0.5168196E-11 2 0.3011696E-09 3 0.1260949E-08 4 0.7030249E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.7229687E-11 1 0.3754657E-09 2 0.4271443E-09 3 0.4190509E-09 4 0.2123294E-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 0.2513117E-15 1 0.9984106E-09 2 0.1441436E-08 3 0.2088635E-08 4 0.4007590E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.1843427E-14 1 0.8125872E-08 2 0.1034903E-07 3 0.5170554E-08 4 0.6160405E-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 0.1899668E-07 1 0.3349752E-07 2 0.3252880E-07 3 0.4129049E-07 4 0.1938626E-08 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.1084207E-14 1 0.2628416E-06 2 0.7767290E-07 3 0.4213492E-07 4 0.4880428E-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 = 0.9988198 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.388193 average diffraction energy (ev) = 0.053638 the reaction probability = 0.1180198D-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 0.9789592E+00 0.5113291E-01 0.3841883E+00 1 0.2906934E-04 0.5820007E-01 0.9880809E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 21 1 -1 0.4374295E-03 0 26 1 0 0.2581162E-03 0 31 1 1 0.7433505E-03 0 13 3 -3 0.2403722E-03 0 17 3 -2 0.8476922E-04 0 22 3 -1 0.6262784E-04 0 27 3 0 0.1280958E-03 0 32 3 1 0.4190079E-03 0 36 3 2 0.1108455E-02 0 40 3 3 0.1913838E-02 0 7 5 -5 0.9816292E-04 0 10 5 -4 0.2242647E-04 0 14 5 -3 0.1415784E-04 0 18 5 -2 0.8451242E-05 0 23 5 -1 0.1037214E-04 0 28 5 0 0.3342510E-04 0 33 5 1 0.2066267E-03 0 37 5 2 0.8333234E-03 0 41 5 3 0.2584634E-02 0 44 5 4 0.5132143E-02 0 47 5 5 0.1035302E-01 0 3 7 -7 0.2022090E-05 0 5 7 -6 0.1314832E-05 0 8 7 -5 0.5735701E-06 0 11 7 -4 0.5516910E-07 0 15 7 -3 0.5041719E-07 0 19 7 -2 0.6691135E-07 0 24 7 -1 0.3568775E-06 0 29 7 0 0.3083979E-05 0 34 7 1 0.6572461E-04 0 38 7 2 0.1017309E-02 0 42 7 3 0.9759520E-02 0 45 7 4 0.5137458E-01 0 48 7 5 0.1364335E+00 0 50 7 6 0.2422270E+00 0 52 7 7 0.5131276E+00 0 1 9 -9 0.1036302E-09 0 2 9 -8 0.1154674E-09 0 4 9 -7 0.8447726E-10 0 6 9 -6 0.8670069E-10 0 9 9 -5 0.8207880E-10 0 12 9 -4 0.8268640E-10 0 16 9 -3 0.1737964E-09 0 20 9 -2 0.5152125E-09 0 25 9 -1 0.2065484E-08 0 30 9 0 0.7903216E-08 0 35 9 1 0.4143928E-07 0 39 9 2 0.4105728E-06 0 43 9 3 0.2328320E-05 0 46 9 4 0.5534450E-05 0 49 9 5 0.2696980E-04 0 51 9 6 0.4845124E-04 0 53 9 7 0.7162461E-04 0 54 9 8 0.6981893E-04 0 55 9 9 0.2850082E-04 1 21 1 -1 0.5209093E-06 1 26 1 0 0.4338277E-06 1 31 1 1 0.7323792E-05 1 13 3 -3 0.6870262E-07 1 17 3 -2 0.2552422E-07 1 22 3 -1 0.1063587E-06 1 27 3 0 0.1873065E-06 1 32 3 1 0.1585838E-05 1 36 3 2 0.2435328E-05 1 40 3 3 0.8789135E-05 1 7 5 -5 0.1183301E-08 1 10 5 -4 0.9047704E-10 1 14 5 -3 0.1555812E-09 1 18 5 -2 0.6784617E-09 1 23 5 -1 0.2670657E-08 1 28 5 0 0.1920328E-08 1 33 5 1 0.1821630E-07 1 37 5 2 0.3810735E-07 1 41 5 3 0.9539780E-07 1 44 5 4 0.9238491E-06 1 47 5 5 0.6503794E-05 1 3 7 -7 0.9179042E-17 1 5 7 -6 0.2480242E-17 1 8 7 -5 0.7632345E-13 1 11 7 -4 0.6992169E-19 1 15 7 -3 0.1724435E-17 1 19 7 -2 0.5432708E-13 1 24 7 -1 0.8632713E-17 1 29 7 0 0.8096261E-18 1 34 7 1 0.8101377E-12 1 38 7 2 0.9816446E-18 1 42 7 3 0.3005131E-18 1 45 7 4 0.2131817E-10 1 48 7 5 0.1384211E-16 1 50 7 6 0.5288698E-17 1 52 7 7 0.6533433E-08 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 0.1087727E-10 1 0.5889156E-04 2 0.3971246E-04 3 0.3798600E-04 4 0.1057846E-03 5 0.1146130E-03 6 0.6087510E-04 7 0.1757861E-04 8 0.1946310E-05 9 0.4174469E-07 v, j, mj = 0 1 0 0 0.9337951E-14 1 0.7157475E-05 2 0.3466101E-04 3 0.6156131E-04 4 0.7366955E-04 5 0.5542711E-04 6 0.2135602E-04 7 0.3996705E-05 8 0.2774711E-06 9 0.9538772E-08 v, j, mj = 0 1 1 0 0.2339098E-04 1 0.2544958E-04 2 0.3760951E-04 3 0.4757298E-04 4 0.1737630E-03 5 0.2316910E-03 6 0.1486854E-03 7 0.4733089E-04 8 0.7553958E-05 9 0.3033102E-06 v, j, mj = 0 3 -3 0 0.1284573E-11 1 0.4332307E-04 2 0.3570958E-04 3 0.3350094E-04 4 0.5529493E-04 5 0.4700395E-04 6 0.2102558E-04 7 0.4257813E-05 8 0.2528604E-06 9 0.3515617E-08 v, j, mj = 0 3 -2 0 0.1186045E-06 1 0.7525056E-05 2 0.9817544E-05 3 0.3322235E-04 4 0.2143392E-04 5 0.9622204E-05 6 0.2564956E-05 7 0.4322190E-06 8 0.3081825E-07 9 0.1552027E-08 v, j, mj = 0 3 -1 0 0.8430093E-11 1 0.1926556E-04 2 0.9184182E-05 3 0.2242098E-04 4 0.3341921E-05 5 0.3559121E-05 6 0.3422566E-05 7 0.1253970E-05 8 0.1725211E-06 9 0.7012546E-08 v, j, mj = 0 3 0 0 0.3544111E-12 1 0.2399880E-05 2 0.2369817E-04 3 0.4334865E-04 4 0.2553399E-04 5 0.1982865E-04 6 0.1063909E-04 7 0.2475685E-05 8 0.1594679E-06 9 0.1219230E-07 v, j, mj = 0 3 1 0 0.2742194E-04 1 0.2318825E-04 2 0.2024495E-03 3 0.9652388E-04 4 0.4832255E-04 5 0.1210185E-04 6 0.5714288E-05 7 0.2701640E-05 8 0.5640506E-06 9 0.1989508E-07 v, j, mj = 0 3 2 0 0.1644005E-11 1 0.5472218E-05 2 0.5433655E-04 3 0.2498344E-03 4 0.2866346E-03 5 0.3012155E-03 6 0.1749495E-03 7 0.3456558E-04 8 0.1435343E-05 9 0.1097229E-07 v, j, mj = 0 3 3 0 0.2032085E-10 1 0.1916068E-03 2 0.2717851E-03 3 0.5167914E-04 4 0.2645772E-03 5 0.4599846E-03 6 0.4741451E-03 7 0.1833963E-03 8 0.1645628E-04 9 0.2080168E-06 v, j, mj = 0 5 -5 0 0.1147012E-04 1 0.7523420E-05 2 0.1254489E-04 3 0.1721092E-04 4 0.2434243E-04 5 0.1812496E-04 6 0.6316432E-05 7 0.6211119E-06 8 0.8553904E-08 9 0.8205562E-10 v, j, mj = 0 5 -4 0 0.4385777E-11 1 0.6293421E-06 2 0.3128278E-05 3 0.7212052E-05 4 0.7450050E-05 5 0.3388010E-05 6 0.5939680E-06 7 0.2347999E-07 8 0.9074253E-09 9 0.3765384E-09 v, j, mj = 0 5 -3 0 0.2856920E-12 1 0.9212821E-06 2 0.2154021E-05 3 0.4607495E-05 4 0.4103571E-05 5 0.1816598E-05 6 0.4911575E-06 7 0.6011249E-07 8 0.3173762E-08 9 0.4280829E-09 v, j, mj = 0 5 -2 0 0.6457917E-08 1 0.1179728E-05 2 0.1095531E-05 3 0.3635107E-05 4 0.1918843E-05 5 0.4901483E-06 6 0.1097301E-06 7 0.1309461E-07 8 0.1782576E-08 9 0.8201723E-09 v, j, mj = 0 5 -1 0 0.3552172E-12 1 0.2587919E-06 2 0.2041978E-05 3 0.6129036E-05 4 0.1837339E-05 5 0.4815936E-07 6 0.4073520E-07 7 0.1042389E-07 8 0.2204313E-08 9 0.3476262E-08 v, j, mj = 0 5 0 0 0.7339855E-12 1 0.2109753E-05 2 0.2834020E-05 3 0.2520421E-04 4 0.2632317E-05 5 0.3549796E-06 6 0.2126496E-06 7 0.6847994E-07 8 0.6216585E-08 9 0.2471019E-08 v, j, mj = 0 5 1 0 0.1894819E-05 1 0.2670002E-06 2 0.7979690E-04 3 0.1121391E-03 4 0.9744289E-05 5 0.2220871E-05 6 0.4835743E-06 7 0.6169038E-07 8 0.1277148E-07 9 0.5582173E-08 v, j, mj = 0 5 2 0 0.3984141E-11 1 0.1077991E-04 2 0.4078548E-03 3 0.2336734E-03 4 0.1237584E-03 5 0.4780172E-04 6 0.8705421E-05 7 0.7303247E-06 8 0.9744652E-08 9 0.9636110E-08 v, j, mj = 0 5 3 0 0.2805228E-10 1 0.8303058E-04 2 0.4709132E-03 3 0.7317544E-03 4 0.7652015E-03 5 0.4367429E-03 6 0.9098947E-04 7 0.5899557E-05 8 0.8364165E-07 9 0.1876378E-07 v, j, mj = 0 5 4 0 0.4081320E-05 1 0.2250326E-03 2 0.3874931E-03 3 0.2163978E-03 4 0.1784192E-02 5 0.1945337E-02 6 0.5321674E-03 7 0.3673103E-04 8 0.6779972E-06 9 0.3346058E-07 v, j, mj = 0 5 5 0 0.4084870E-09 1 0.1395067E-02 2 0.1230159E-02 3 0.1271610E-02 4 0.1043601E-02 5 0.3419157E-02 6 0.1794281E-02 7 0.1960204E-03 8 0.3097685E-05 9 0.2175416E-07 v, j, mj = 0 7 -7 0 0.5081211E-12 1 0.1466034E-06 2 0.1269008E-06 3 0.5025099E-06 4 0.8215285E-06 5 0.3908802E-06 6 0.3340691E-07 7 0.2497552E-09 8 0.1012959E-10 9 0.0000000E+00 v, j, mj = 0 7 -6 0 0.1737456E-11 1 0.1224655E-07 2 0.1283074E-06 3 0.4463713E-06 4 0.5392817E-06 5 0.1753825E-06 6 0.1301945E-07 7 0.1542243E-09 8 0.6714792E-10 9 0.0000000E+00 v, j, mj = 0 7 -5 0 0.4612806E-07 1 0.9786311E-07 2 0.1935740E-06 3 0.1654557E-06 4 0.6327536E-07 5 0.6611369E-08 6 0.5093568E-09 7 0.9723332E-10 8 0.5585921E-10 9 0.0000000E+00 v, j, mj = 0 7 -4 0 0.5000011E-12 1 0.1669446E-07 2 0.1764768E-07 3 0.1713297E-07 4 0.2105714E-08 5 0.1002325E-08 6 0.3449875E-09 7 0.7620282E-10 8 0.1642605E-09 9 0.0000000E+00 v, j, mj = 0 7 -3 0 0.8977387E-14 1 0.1839169E-07 2 0.1170050E-07 3 0.1088263E-07 4 0.6260979E-08 5 0.2190747E-08 6 0.4857758E-09 7 0.2211478E-09 8 0.2837090E-09 9 0.0000000E+00 v, j, mj = 0 7 -2 0 0.5427200E-10 1 0.1367436E-07 2 0.3113461E-07 3 0.8599324E-08 4 0.8630324E-08 5 0.1382895E-08 6 0.7577394E-09 7 0.1276222E-08 8 0.1401604E-08 9 0.0000000E+00 v, j, mj = 0 7 -1 0 0.1947871E-12 1 0.1241575E-06 2 0.9131880E-07 3 0.7679131E-07 4 0.5262377E-07 5 0.6410978E-08 6 0.1243189E-08 7 0.1810481E-08 8 0.2521310E-08 9 0.0000000E+00 v, j, mj = 0 7 0 0 0.2048784E-12 1 0.1852484E-06 2 0.2440094E-06 3 0.1480909E-05 4 0.1059311E-05 5 0.8780501E-07 6 0.5228506E-08 7 0.1206542E-07 8 0.9402328E-08 9 0.0000000E+00 v, j, mj = 0 7 1 0 0.1067313E-05 1 0.1384124E-06 2 0.8226943E-05 3 0.3860198E-04 4 0.1622502E-04 5 0.1387052E-05 6 0.4768725E-07 7 0.2323932E-07 8 0.6960089E-08 9 0.0000000E+00 v, j, mj = 0 7 2 0 0.8618747E-12 1 0.2226690E-04 2 0.2233521E-03 3 0.5613792E-03 4 0.1915895E-03 5 0.1793738E-04 6 0.6615952E-06 7 0.1046324E-06 8 0.1761441E-07 9 0.0000000E+00 v, j, mj = 0 7 3 0 0.1665128E-10 1 0.9229752E-04 2 0.3042104E-02 3 0.4740347E-02 4 0.1680269E-02 5 0.1968001E-03 6 0.7388011E-05 7 0.3001856E-06 8 0.1458217E-07 9 0.0000000E+00 v, j, mj = 0 7 4 0 0.1575141E-05 1 0.9275568E-03 2 0.1490896E-01 3 0.2462199E-01 4 0.9511017E-02 5 0.1341373E-02 6 0.6113755E-04 7 0.9542007E-06 8 0.1545562E-07 9 0.0000000E+00 v, j, mj = 0 7 5 0 0.7601590E-10 1 0.8239729E-04 2 0.3206541E-01 3 0.6403556E-01 4 0.3371984E-01 5 0.6197120E-02 6 0.3296411E-03 7 0.3466194E-05 8 0.1556359E-07 9 0.0000000E+00 v, j, mj = 0 7 6 0 0.8484640E-12 1 0.5469344E-01 2 0.3938517E-01 3 0.5087795E-01 4 0.7514776E-01 5 0.2094946E-01 6 0.1162390E-02 7 0.1077364E-04 8 0.1874785E-07 9 0.0000000E+00 v, j, mj = 0 7 7 0 0.4765199E-01 1 0.2210700E+00 2 0.1660771E+00 3 0.1344927E-01 4 0.3089538E-01 5 0.3096468E-01 6 0.2991280E-02 7 0.2794989E-04 8 0.2356449E-07 9 0.0000000E+00 v, j, mj = 0 9 -9 0 0.1916176E-13 1 0.2306627E-10 2 0.3483972E-10 3 0.3194724E-10 4 0.7983856E-11 5 0.2145463E-11 6 0.3628512E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -8 0 0.2456879E-11 1 0.1675667E-10 2 0.3825627E-10 3 0.2650107E-10 4 0.1029443E-10 5 0.1189157E-10 6 0.9310536E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -7 0 0.5141059E-14 1 0.1256461E-10 2 0.1086699E-10 3 0.2039418E-10 4 0.1729145E-10 5 0.1146191E-10 6 0.1189298E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -6 0 0.8427622E-14 1 0.6025791E-11 2 0.1013240E-10 3 0.2111594E-10 4 0.1161988E-10 5 0.1417076E-10 6 0.2362750E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -5 0 0.4574838E-11 1 0.6989474E-11 2 0.1378014E-10 3 0.1946000E-10 4 0.1056340E-10 5 0.1371296E-10 6 0.1299800E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -4 0 0.1558165E-14 1 0.2657863E-11 2 0.9127809E-11 3 0.2438692E-10 4 0.2446486E-10 5 0.1055362E-10 6 0.1149376E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -3 0 0.3696542E-16 1 0.1521228E-11 2 0.2166660E-10 3 0.3892022E-10 4 0.3264692E-10 5 0.4432008E-10 6 0.3472131E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -2 0 0.5477183E-11 1 0.4137589E-11 2 0.7297936E-10 3 0.7746947E-10 4 0.1246625E-09 5 0.1035979E-09 6 0.1268885E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 -1 0 0.1444593E-15 1 0.1161937E-09 2 0.1295920E-09 3 0.6186108E-09 4 0.2789600E-09 5 0.6514635E-09 6 0.2706634E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 0 0 0.3622165E-15 1 0.2311974E-09 2 0.2681136E-09 3 0.2329028E-08 4 0.1242962E-08 5 0.2703042E-08 6 0.1128873E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 1 0 0.2617094E-08 1 0.9824021E-09 2 0.6868990E-08 3 0.1618667E-07 4 0.5954849E-08 5 0.4804651E-08 6 0.4024622E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 2 0 0.1149890E-14 1 0.2083033E-07 2 0.1245141E-06 3 0.1838522E-06 4 0.4317027E-07 5 0.3077149E-07 6 0.7434398E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 3 0 0.1223285E-13 1 0.4978844E-07 2 0.8762550E-06 3 0.1099111E-05 4 0.2422379E-06 5 0.3982777E-07 6 0.2109987E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 4 0 0.8413575E-08 1 0.3160850E-07 2 0.1638898E-05 3 0.2934335E-05 4 0.8311664E-06 5 0.7341828E-07 6 0.1661058E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 5 0 0.6153128E-13 1 0.3682814E-05 2 0.1370550E-04 3 0.8278511E-05 4 0.1239238E-05 5 0.3032019E-07 6 0.3342166E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 6 0 0.1234431E-13 1 0.9385506E-05 2 0.2845365E-04 3 0.8827159E-05 4 0.1629315E-05 5 0.1117491E-06 6 0.4386393E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 7 0 0.3510755E-04 1 0.2690706E-04 2 0.5297647E-05 3 0.2965357E-05 4 0.1155222E-05 5 0.1432651E-06 6 0.4850296E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 8 0 0.1543891E-12 1 0.5330640E-05 2 0.4265806E-04 3 0.1872658E-04 4 0.2608615E-05 5 0.4530544E-06 6 0.4198349E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 9 9 0 0.5957040E-11 1 0.1213425E-04 2 0.6231340E-05 3 0.8739825E-05 4 0.1204175E-05 5 0.1366910E-06 6 0.5453302E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 -1 0 0.2068098E-11 1 0.1405967E-07 2 0.2126840E-06 3 0.2518809E-06 4 0.3605616E-07 5 0.3792083E-08 6 0.2112564E-08 7 0.3219018E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 0 0 0.4001348E-12 1 0.5459777E-08 2 0.4701127E-07 3 0.2856240E-06 4 0.9086640E-07 5 0.2838064E-08 6 0.1735733E-08 7 0.2920835E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 1 1 0 0.3530309E-07 1 0.4651436E-06 2 0.3953351E-06 3 0.2283532E-05 4 0.3763584E-05 5 0.3733094E-06 6 0.7039584E-08 7 0.5456588E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -3 0 0.4972004E-12 1 0.3857977E-08 2 0.2204991E-07 3 0.3597127E-07 4 0.5866354E-08 5 0.6703116E-09 6 0.2862948E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -2 0 0.1460132E-09 1 0.8651352E-09 2 0.1662833E-07 3 0.6798377E-08 4 0.5559294E-09 5 0.2710632E-09 6 0.2593684E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 -1 0 0.5040725E-12 1 0.1339941E-07 2 0.2306324E-07 3 0.5986092E-07 4 0.8823932E-08 5 0.6717005E-09 6 0.5389647E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 0 0 0.2145651E-12 1 0.1266776E-07 2 0.5245657E-07 3 0.9554471E-07 4 0.2189865E-07 5 0.2756745E-08 6 0.1981801E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 1 0 0.5488465E-07 1 0.7934494E-08 2 0.4281202E-06 3 0.7085143E-06 4 0.3412951E-06 5 0.4371255E-07 6 0.1376625E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 2 0 0.2702529E-12 1 0.3738631E-06 2 0.5765612E-06 3 0.1263214E-05 4 0.2030081E-06 5 0.1519474E-07 6 0.3486100E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 3 3 0 0.3049235E-11 1 0.3102400E-06 2 0.1406357E-05 3 0.5158874E-05 4 0.1889665E-05 5 0.1674150E-07 6 0.7255282E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -5 0 0.1768306E-09 1 0.6484930E-09 2 0.2956117E-09 3 0.1869833E-10 4 0.3918505E-10 5 0.4482537E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -4 0 0.2613418E-14 1 0.7523458E-11 2 0.3412074E-10 3 0.2525210E-10 4 0.1908257E-10 5 0.4495563E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -3 0 0.1912749E-14 1 0.3831541E-10 2 0.4066904E-10 3 0.4953239E-10 4 0.1401370E-10 5 0.1304876E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -2 0 0.2513930E-11 1 0.1898826E-10 2 0.1391136E-09 3 0.2092978E-09 4 0.2878274E-09 5 0.2072074E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 -1 0 0.8412175E-14 1 0.1364986E-09 2 0.1098886E-09 3 0.1227782E-08 4 0.1176531E-08 5 0.1994811E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 0 0 0.2414301E-14 1 0.1225901E-09 2 0.6543986E-09 3 0.8546001E-10 4 0.9572823E-09 5 0.1005945E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 1 0 0.1808246E-08 1 0.1267653E-08 2 0.1002863E-07 3 0.3410784E-08 4 0.1426017E-08 5 0.2749658E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 2 0 0.4552684E-14 1 0.6027810E-08 2 0.1692273E-07 3 0.9438393E-08 4 0.4967778E-08 5 0.7506341E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 3 0 0.3365829E-14 1 0.2695890E-07 2 0.2413471E-07 3 0.3666613E-07 4 0.7283429E-08 5 0.3546347E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 4 0 0.4077800E-07 1 0.1701387E-06 2 0.4680715E-06 3 0.2042609E-06 4 0.3849561E-07 5 0.2104439E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 5 5 0 0.7002264E-11 1 0.1344847E-05 2 0.4403133E-05 3 0.7056415E-06 4 0.4929746E-07 5 0.8670920E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -7 0 0.9179042E-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 0.2480242E-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 0.7632345E-13 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -4 0 0.6992169E-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 0.1724435E-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 -2 0 0.5432708E-13 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 -1 0 0.8632713E-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 0.8096261E-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 0.8101377E-12 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 2 0 0.9816446E-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 0.3005131E-18 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 4 0 0.2131817E-10 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 7 5 0 0.1384211E-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 0.5288698E-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 7 0 0.6533433E-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 sum of the probabilities = 0.9789883 average vibrational energy (ev) = 0.000015 average rotational energy (ev) = 0.384180 average diffraction energy (ev) = 0.051133 the reaction probability = 0.2101175D-01 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 108891.1913 (a) ... Propagating the wavefunction 106908.0330 (b) Setup time 1782.8974 Saving the wave function for rerun 35.7794 Calculating averages 4.5768 Calculating and saving BK-coeffs 14.2072 Asymptotic analysis 3.5548 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 108749.0486 (a) ... FFTs along X and Y 4431.7011 Kinetic energy operation along Z 32478.8305 Kinetic energy operation along r 25750.0063 Potential energy multiplication 11453.7871 Legengre transforms 26511.3757 Shifting the wavefunction 2122.6369 Kinetic energy multiplications (xy) 443.6534 Absorbing the wavefunction 509.5926 Projection formalism 17.7602 Operations on specular grid 0.1684 ----------------------------------------------------- Sum 103719.5124 (b) ... Potential initialisation time 0.0000 Potential setup time 1761.4503 FFTs along X 2299.6992 FFTs along Y 2132.0019 Time spent on FGH for asympwf 0.3976 Ending date and time: Sun Aug 11 18:50:59 CEST 2019