Starting date and time: Fri Aug 2 01:21:58 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 20190802 at 012158.724 *** * 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: v0j6mj5-0.15eV-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.: 26 * Maximum Mj value in grid representation.: 26 * 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: 6 * Initial rotational quantum number Mj: 5 * 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: 6 * Mj in: 5 * Maximum J value in grid rep.: 26 * 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 = 27 ... * Setting up the angular grid module with JMax = 26 ... * 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 : 14 * JMax in basis set : 26 * JMin in basis set : 0 * Delta J in basis set : 2 * Grid has been set up for JIn = 6 , MjIn = 5 ... *** 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 = 0.25987625E-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 = 14 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 = 112 iz = 111 iz = 113 iz = 114 iz = 116 iz = 115 iz = 117 iz = 118 iz = 120 iz = 119 iz = 121 iz = 122 iz = 124 iz = 123 iz = 125 iz = 126 iz = 128 iz = 127 iz = 129 iz = 130 iz = 132 iz = 131 iz = 133 iz = 134 iz = 136 iz = 135 iz = 137 iz = 138 iz = 140 iz = 139 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 156 iz = 160 iz = 146 iz = 150 iz = 154 iz = 145 iz = 158 iz = 149 iz = 162 iz = 153 iz = 143 iz = 157 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_26_26. 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 = 0.18625216E+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 -0.295000 0.1108407D-01 0.6766701D-03 1.0000000 1.4592222 0 1 -4.872088 -0.280528 0.1074900D-01 0.6544072D-03 1.0000000 1.4614064 0 2 -4.843277 -0.251716 0.1010829D-01 0.6120063D-03 1.0000000 1.4657641 0 3 -4.800385 -0.208825 0.9216637D-02 0.5533927D-03 1.0000000 1.4722741 0 4 -4.743793 -0.152233 0.8146544D-02 0.4837088D-03 1.0000000 1.4809057 0 5 -4.673990 -0.082430 0.6978806D-02 0.4085885D-03 1.0000000 1.4916191 0 6 -4.591560 0.000000 0.5792699D-02 0.3334277D-03 1.0000000 1.5043673 0 7 -4.497167 0.094393 0.4657444D-02 0.2627771D-03 1.0000000 1.5190968 0 8 -4.391538 0.200022 0.3626184D-02 0.1999469D-03 1.0000000 1.5357497 0 9 -4.275447 0.316113 0.2733089D-02 0.1468600D-03 1.0000000 1.5542650 0 10 -4.149699 0.441861 0.1993548D-02 0.1041307D-03 1.0000000 1.5745804 0 11 -4.015115 0.576445 0.1406814D-02 0.7131162D-04 1.0000000 1.5966338 0 12 -3.872520 0.719040 0.9601839D-03 0.4722808D-04 1.0000000 1.6203649 0 13 -3.722731 0.868830 0.6336524D-03 0.3032238D-04 1.0000000 1.6457168 0 14 -3.566546 1.025015 0.4042006D-03 0.1895074D-04 1.0000000 1.6726370 0 15 -3.404739 1.186821 0.2491495D-03 0.1159880D-04 1.0000000 1.7010784 0 16 -3.238056 1.353504 0.1483557D-03 0.7007247D-05 1.0000000 1.7310003 0 17 -3.067207 1.524353 0.8530722D-04 0.4216678D-05 1.0000000 1.7623681 0 18 -2.892866 1.698694 0.4735220D-04 0.2552000D-05 1.0000000 1.7951540 0 19 -2.715668 1.875892 0.2535977D-04 0.1570764D-05 1.0000000 1.8293366 0 20 -2.536212 2.055348 0.1309290D-04 0.9984743D-06 1.0000000 1.8649010 0 21 -2.355055 2.236505 0.6506324D-05 0.6687072D-06 1.0000000 1.9018391 0 22 -2.172720 2.418840 0.3103067D-05 0.4784094D-06 1.0000000 1.9401511 0 23 -1.989692 2.601868 0.1413474D-05 0.3609022D-06 1.0000000 1.9798469 0 24 -1.806422 2.785138 0.6108915D-06 0.2730916D-06 1.0000000 2.0209484 0 25 -1.623330 2.968230 0.2496658D-06 0.1905184D-06 1.0000000 2.0634922 0 26 -1.440808 3.150752 0.9869287D-07 0.1043847D-06 1.0000000 2.1075305 1 0 -4.377131 0.214430 0.2956956D-01 0.2094185D-02 1.0000000 1.5567653 1 1 -4.363394 0.228167 0.2872491D-01 0.2028557D-02 1.0000000 1.5589873 1 2 -4.336044 0.255516 0.2710458D-01 0.1903183D-02 1.0000000 1.5634221 1 3 -4.295327 0.296234 0.2483768D-01 0.1728998D-02 1.0000000 1.5700508 1 4 -4.241599 0.349961 0.2209741D-01 0.1520482D-02 1.0000000 1.5788466 1 5 -4.175323 0.416237 0.1908004D-01 0.1293749D-02 1.0000000 1.5897747 1 6 -4.097050 0.494510 0.1598258D-01 0.1064561D-02 1.0000000 1.6027943 1 7 -4.007410 0.584151 0.1298220D-01 0.8466080D-03 1.0000000 1.6178591 1 8 -3.907091 0.684470 0.1022065D-01 0.6502907D-03 1.0000000 1.6349192 1 9 -3.796830 0.794731 0.7795213D-02 0.4821432D-03 1.0000000 1.6539220 1 10 -3.677394 0.914166 0.5756893D-02 0.3448852D-03 1.0000000 1.6748131 1 11 -3.549570 1.041991 0.4114855D-02 0.2379758D-03 1.0000000 1.6975372 1 12 -3.414146 1.177414 0.2845305D-02 0.1584757D-03 1.0000000 1.7220385 1 13 -3.271907 1.319654 0.1902477D-02 0.1020129D-03 1.0000000 1.7482614 1 14 -3.123619 1.467942 0.1229541D-02 0.6367986D-04 1.0000000 1.7761507 1 15 -2.970025 1.621535 0.7677620D-03 0.3874540D-04 1.0000000 1.8056544 1 16 -2.811840 1.779720 0.4630331D-03 0.2312868D-04 1.0000000 1.8367256 1 17 -2.649741 1.941819 0.2696261D-03 0.1363161D-04 1.0000000 1.8693275 1 18 -2.484372 2.107188 0.1515515D-03 0.7964809D-05 1.0000000 1.9034382 1 19 -2.316341 2.275220 0.8220347D-04 0.4625799D-05 1.0000000 1.9390543 1 20 -2.146220 2.445340 0.4300803D-04 0.2699686D-05 1.0000000 1.9761940 1 21 -1.974553 2.617008 0.2167862D-04 0.1649070D-05 1.0000000 2.0148935 1 22 -1.801852 2.789708 0.1049672D-04 0.1143608D-05 1.0000000 2.0552011 1 23 -1.628604 2.962957 0.4849161D-05 0.9535120D-06 1.0000000 2.0971646 1 24 -1.455263 3.136298 0.2106913D-05 0.9041519D-06 1.0000000 2.1408178 1 25 -1.282253 3.309308 0.8363547D-06 0.8699011D-06 1.0000000 2.1861690 1 26 -1.109959 3.481601 0.2853172D-06 0.7800547D-06 1.0000000 2.2331972 energy initial v,j state = -4.591560 potential energy = -5.005752 rotational energy = 0.286014 vibrational energy = 0.128179 rovibrational energy = 0.414192 expectation value r = 1.504367 ******************************************************************************** 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 ******************************************************************************** 378 rotation channels in basis (nrotw) * number of rotational states analysed, nana = 66 * initial rotational state in basis, ichn = 247 ******************************************************************************** INFO FROM SETTING UP THE ROTATION-DIFFRACTION BASIS ******************************************************************************** ***** rotation-diffraction channels in basis (nstatw) * Number of rotation-diffraction analysed, nstata = 17886 * Index of initial rot-dif channel in basis, inchna = 14635 ******************************************************************************** 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 1.50436726 0.10000000E+01 0.50000000E+02 0.99999998 17.27377086 1.50437399 0.99999998E+00 0.10000000E+03 0.99999995 17.14754172 1.50438068 0.99999994E+00 0.15000000E+03 0.99999993 17.02131258 1.50438173 0.99999976E+00 0.20000000E+03 0.99999991 16.89508344 1.50438138 0.99999849E+00 0.25000000E+03 0.99999989 16.76885430 1.50437984 0.99998978E+00 0.30000000E+03 0.99999986 16.64262516 1.50437388 0.99993922E+00 0.35000000E+03 0.99999984 16.51639602 1.50436764 0.99969714E+00 0.40000000E+03 0.99999982 16.39016687 1.50437357 0.99874779E+00 0.45000000E+03 0.99999979 16.26393773 1.50438167 0.99569662E+00 0.50000000E+03 0.99999977 16.13770858 1.50438202 0.98760709E+00 0.55000000E+03 0.99999975 16.01147941 1.50438098 0.96972245E+00 0.60000000E+03 0.99999972 15.88525016 1.50437909 0.93629604E+00 0.65000000E+03 0.99999970 15.75902072 1.50437369 0.88265980E+00 0.70000000E+03 0.99999968 15.63279086 1.50436819 0.80756257E+00 0.75000000E+03 0.99999966 15.50656013 1.50437313 0.71431848E+00 0.80000000E+03 0.99999963 15.38032789 1.50438267 0.61002994E+00 0.85000000E+03 0.99999961 15.25409318 1.50438223 0.50340977E+00 0.90000000E+03 0.99999959 15.12785481 1.50438057 0.40241928E+00 0.95000000E+03 0.99999956 15.00161134 1.50437838 0.31270922E+00 0.10000000E+04 0.99999954 14.87536121 1.50437345 0.23716171E+00 0.10500000E+04 0.99999952 14.74910281 1.50436871 0.17627129E+00 0.11000000E+04 0.99999949 14.62283452 1.50437305 0.12891000E+00 0.11500000E+04 0.99999947 14.49655481 1.50438309 0.93104743E-01 0.12000000E+04 0.99999945 14.37026219 1.50438310 0.66633360E-01 0.12500000E+04 0.99999943 14.24395526 1.50437997 0.47394701E-01 0.13000000E+04 0.99999940 14.11763265 1.50437824 0.33589138E-01 0.13500000E+04 0.99999938 13.99129295 1.50437424 0.23771123E-01 0.14000000E+04 0.99999936 13.86493471 1.50437106 0.16830002E-01 0.14500000E+04 0.99999933 13.73855631 1.50437664 0.11939068E-01 0.15000000E+04 0.99999931 13.61215597 1.50438896 0.84968604E-02 0.15500000E+04 0.99999929 13.48573165 1.50439334 0.60728884E-02 0.16000000E+04 0.99999926 13.35928102 1.50439321 0.43625351E-02 0.16500000E+04 0.99999924 13.23280142 1.50439850 0.31518915E-02 0.17000000E+04 0.99999922 13.10628983 1.50440293 0.22914443E-02 0.17500000E+04 0.99999920 12.97974285 1.50441097 0.16769322E-02 0.18000000E+04 0.99999917 12.85315670 1.50442857 0.12356808E-02 0.18500000E+04 0.99999915 12.72652726 1.50445475 0.91698016E-03 0.19000000E+04 0.99999913 12.59985005 1.50447594 0.68536684E-03 0.19500000E+04 0.99999910 12.47312033 1.50449212 0.51596013E-03 0.20000000E+04 0.99999908 12.34633309 1.50451589 0.39123479E-03 0.20500000E+04 0.99999906 12.21948312 1.50454114 0.29879149E-03 0.21000000E+04 0.99999903 12.09256504 1.50456978 0.22981281E-03 0.21500000E+04 0.99999901 11.96557333 1.50460794 0.17799598E-03 0.22000000E+04 0.99999899 11.83850234 1.50465413 0.13881045E-03 0.22500000E+04 0.99999897 11.71134635 1.50469554 0.10898061E-03 0.23000000E+04 0.99999894 11.58409954 1.50473014 0.86124863E-04 0.23500000E+04 0.99999892 11.45675603 1.50477093 0.68500187E-04 0.24000000E+04 0.99999890 11.32930984 1.50481476 0.54823739E-04 0.24500000E+04 0.99999887 11.20175496 1.50485893 0.44145529E-04 0.25000000E+04 0.99999885 11.07408532 1.50491222 0.35757857E-04 0.25500000E+04 0.99999883 10.94629482 1.50497101 0.29130426E-04 0.26000000E+04 0.99999881 10.81837739 1.50502545 0.23863589E-04 0.26500000E+04 0.99999878 10.69032699 1.50507126 0.19654211E-04 0.27000000E+04 0.99999876 10.56213773 1.50512151 0.16271988E-04 0.27500000E+04 0.99999874 10.43380391 1.50517705 0.13539775E-04 0.28000000E+04 0.99999871 10.30532012 1.50523129 0.11321305E-04 0.28500000E+04 0.99999869 10.17668142 1.50529394 0.95110194E-05 0.29000000E+04 0.99999867 10.04788344 1.50536197 0.80267076E-05 0.29500000E+04 0.99999864 9.91892258 1.50542628 0.68037943E-05 0.30000000E+04 0.99999862 9.78979623 1.50548231 0.57920961E-05 0.30500000E+04 0.99999860 9.66050302 1.50554273 0.49513248E-05 0.31000000E+04 0.99999858 9.53104306 1.50561153 0.42496321E-05 0.31500000E+04 0.99999855 9.40141830 1.50568129 0.36615832E-05 0.32000000E+04 0.99999853 9.27163282 1.50576002 0.31667912E-05 0.32500000E+04 0.99999851 9.14169323 1.50584893 0.27488493E-05 0.33000000E+04 0.99999848 9.01160910 1.50593792 0.23944832E-05 0.33500000E+04 0.99999846 8.88139334 1.50602605 0.20928951E-05 0.34000000E+04 0.99999844 8.75106268 1.50612450 0.18352709E-05 0.34500000E+04 0.99999841 8.62063819 1.50624339 0.16144130E-05 0.35000000E+04 0.99999839 8.49014568 1.50637692 0.14244439E-05 0.35500000E+04 0.99999837 8.35961626 1.50653249 0.12603099E-05 0.36000000E+04 0.99999834 8.22908684 1.50671920 0.11184943E-05 0.36500000E+04 0.99999832 8.09860055 1.50692935 0.99539799E-06 0.37000000E+04 0.99999829 7.96820727 1.50716762 0.88820453E-06 0.37500000E+04 0.99999827 7.83796403 1.50744908 0.79456622E-06 0.38000000E+04 0.99999824 7.70793542 1.50779162 0.71254321E-06 0.38500000E+04 0.99999822 7.57819391 1.50819662 0.64052685E-06 0.39000000E+04 0.99999818 7.44882018 1.50867471 0.57716067E-06 0.39500000E+04 0.99999815 7.31990329 1.50924371 0.52107730E-06 0.40000000E+04 0.99999810 7.19154085 1.50990517 0.47169323E-06 0.40500000E+04 0.99999803 7.06383906 1.51066749 0.42793385E-06 0.41000000E+04 0.99999793 6.93691270 1.51155272 0.38905056E-06 0.41500000E+04 0.99999777 6.81088494 1.51258184 0.35438932E-06 0.42000000E+04 0.99999753 6.68588719 1.51376300 0.32339140E-06 0.42500000E+04 0.99999716 6.56205869 1.51510164 0.29560599E-06 0.43000000E+04 0.99999659 6.43954614 1.51661360 0.27068648E-06 0.43500000E+04 0.99999574 6.31850315 1.51829754 0.24815821E-06 0.44000000E+04 0.99999446 6.19908972 1.52014782 0.22815199E-06 0.44500000E+04 0.99999261 6.08147152 1.52217197 0.21018136E-06 0.45000000E+04 0.99998996 5.96581915 1.52437084 0.19396136E-06 0.45500000E+04 0.99998624 5.85230737 1.52673363 0.17924435E-06 0.46000000E+04 0.99998112 5.74111416 1.52923977 0.16584558E-06 0.46500000E+04 0.99997420 5.63241970 1.53187697 0.15363549E-06 0.47000000E+04 0.99996503 5.52640536 1.53462268 0.14251225E-06 0.47500000E+04 0.99995307 5.42325259 1.53744516 0.13238090E-06 0.48000000E+04 0.99993774 5.32314174 1.54032287 0.12315205E-06 0.48500000E+04 0.99991841 5.22625101 1.54323156 0.11474870E-06 0.49000000E+04 0.99989441 5.13275537 1.54613344 0.10710371E-06 0.49500000E+04 0.99986508 5.04282563 1.54898123 0.99943079E-07 0.50000000E+04 0.99982976 4.95662764 1.55172875 0.93599449E-07 0.50500000E+04 0.99978783 4.87432157 1.55432738 0.87781309E-07 0.51000000E+04 0.99973874 4.79606137 1.55671987 0.82407179E-07 0.51500000E+04 0.99968206 4.72199416 1.55886104 0.77415611E-07 0.52000000E+04 0.99961748 4.65225962 1.56071791 0.72768982E-07 0.52500000E+04 0.99954489 4.58698916 1.56226268 0.68445088E-07 0.53000000E+04 0.99946434 4.52630486 1.56348088 0.64426142E-07 0.53500000E+04 0.99937615 4.47031811 1.56437721 0.60693854E-07 0.54000000E+04 0.99928085 4.41912799 1.56497467 0.57229593E-07 0.54500000E+04 0.99917923 4.37281960 1.56530089 0.54018286E-07 0.55000000E+04 0.99907229 4.33146265 1.56539056 0.51045267E-07 0.55500000E+04 0.99896128 4.29511035 1.56527931 0.48113840E-07 0.56000000E+04 0.99884760 4.26379909 1.56498617 0.45578231E-07 0.56500000E+04 0.99873282 4.23754894 1.56450972 0.43224906E-07 0.57000000E+04 0.99861854 4.21636494 1.56383358 0.41043920E-07 0.57500000E+04 0.99850641 4.20023903 1.56293578 0.39013929E-07 0.58000000E+04 0.99839800 4.18915218 1.56179885 0.37098198E-07 0.58500000E+04 0.99829473 4.18307620 1.56042623 0.35325605E-07 0.59000000E+04 0.99819787 4.18197480 1.55885498 0.33684895E-07 0.59500000E+04 0.99810839 4.18580385 1.55714799 0.32120033E-07 0.60000000E+04 0.99802703 4.19451077 1.55538053 0.30676336E-07 0.60500000E+04 0.99795419 4.20803377 1.55362163 0.29284858E-07 0.61000000E+04 0.99788999 4.22630140 1.55191087 0.27893924E-07 0.61500000E+04 0.99783428 4.24923283 1.55024316 0.26717495E-07 0.62000000E+04 0.99778664 4.27673916 1.54857378 0.25454715E-07 0.62500000E+04 0.99774650 4.30872523 1.54684666 0.24167729E-07 0.63000000E+04 0.99771314 4.34509152 1.54502498 0.23123212E-07 0.63500000E+04 0.99768575 4.38573541 1.54311538 0.22349991E-07 0.64000000E+04 0.99766351 4.43055142 1.54117374 0.21162022E-07 0.64500000E+04 0.99764562 4.47943063 1.53928343 0.20057609E-07 0.65000000E+04 0.99763134 4.53225979 1.53751572 0.19756993E-07 0.65500000E+04 0.99761998 4.58892082 1.53589397 0.19078119E-07 0.66000000E+04 0.99761098 4.64929115 1.53438347 0.17550506E-07 0.66500000E+04 0.99760383 4.71324499 1.53291203 0.17194654E-07 0.67000000E+04 0.99759814 4.78065501 1.53141176 0.18100842E-07 0.67500000E+04 0.99759359 4.85139392 1.52986076 0.17366369E-07 0.68000000E+04 0.99758993 4.92533532 1.52829665 0.15587666E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.68500000E+04 0.99758695 5.00235367 1.52679391 0.17400688E-07 0.69000000E+04 0.99758451 5.08232386 1.52541998 0.21573796E-07 0.69500000E+04 0.99758250 5.16512056 1.52419675 0.22129094E-07 0.70000000E+04 0.99758081 5.25061825 1.52308980 0.21618859E-07 0.70500000E+04 0.99757938 5.33869167 1.52203111 0.29856676E-07 0.71000000E+04 0.99757816 5.42921679 1.52096311 0.45701553E-07 0.71500000E+04 0.99757709 5.52207179 1.51987402 0.57851683E-07 0.72000000E+04 0.99757614 5.61713759 1.51880141 0.68917314E-07 0.72500000E+04 0.99757527 5.71429804 1.51780377 0.98004261E-07 0.73000000E+04 0.99757442 5.81343965 1.51692057 0.15156160E-06 0.73500000E+04 0.99757356 5.91445128 1.51614755 0.21387191E-06 0.74000000E+04 0.99757262 6.01722405 1.51544211 0.27997302E-06 0.74500000E+04 0.99757153 6.12165152 1.51475393 0.38008365E-06 0.75000000E+04 0.99757020 6.22763005 1.51405867 0.55279755E-06 0.75500000E+04 0.99756851 6.33505923 1.51337099 0.80479708E-06 0.76000000E+04 0.99756630 6.44384198 1.51272941 0.11257687E-05 0.76500000E+04 0.99756336 6.55388463 1.51216527 0.15554040E-05 0.77000000E+04 0.99755942 6.66509662 1.51167890 0.22121866E-05 0.77500000E+04 0.99755416 6.77739028 1.51124012 0.32272333E-05 0.78000000E+04 0.99754712 6.89068060 1.51081137 0.46713702E-05 0.78500000E+04 0.99753777 7.00488510 1.51037503 0.66105761E-05 0.79000000E+04 0.99752542 7.11992369 1.50994425 0.92509189E-05 0.79500000E+04 0.99750920 7.23571860 1.50955034 0.12969283E-04 0.80000000E+04 0.99748807 7.35219419 1.50921670 0.18155116E-04 0.80500000E+04 0.99746074 7.46927671 1.50893911 0.25076986E-04 0.81000000E+04 0.99742569 7.58689402 1.50868781 0.33997966E-04 0.81500000E+04 0.99738109 7.70497531 1.50842969 0.45425459E-04 0.82000000E+04 0.99732481 7.82345085 1.50815339 0.60161613E-04 0.82500000E+04 0.99725438 7.94225184 1.50787699 0.79057367E-04 0.83000000E+04 0.99716699 8.06131035 1.50763295 0.10277921E-03 0.83500000E+04 0.99705950 8.18055939 1.50744197 0.13191919E-03 0.84000000E+04 0.99692842 8.29993305 1.50729564 0.16735864E-03 0.84500000E+04 0.99676995 8.41936668 1.50716146 0.21043940E-03 0.85000000E+04 0.99657998 8.53879710 1.50700702 0.26270159E-03 0.85500000E+04 0.99635415 8.65816276 1.50682470 0.32548462E-03 0.86000000E+04 0.99608784 8.77740390 1.50663741 0.39986825E-03 0.86500000E+04 0.99577621 8.89646263 1.50648044 0.48704856E-03 0.87000000E+04 0.99541419 9.01528308 1.50637372 0.58871140E-03 0.87500000E+04 0.99499651 9.13381135 1.50630547 0.70693167E-03 0.88000000E+04 0.99451764 9.25199539 1.50624016 0.84363932E-03 0.88500000E+04 0.99397178 9.36978474 1.50614510 0.10001823E-02 0.89000000E+04 0.99335280 9.48713002 1.50601558 0.11774096E-02 0.89500000E+04 0.99265414 9.60398241 1.50587868 0.13761549E-02 0.90000000E+04 0.99186871 9.72029296 1.50577237 0.15976219E-02 0.90500000E+04 0.99098886 9.83601200 1.50571605 0.18432763E-02 0.91000000E+04 0.99000618 9.95108855 1.50569491 0.21143990E-02 0.91500000E+04 0.98891150 10.06546990 1.50567042 0.24117900E-02 0.92000000E+04 0.98769480 10.17910130 1.50560930 0.27359772E-02 0.92500000E+04 0.98634523 10.29192597 1.50550905 0.30878672E-02 0.93000000E+04 0.98485109 10.40388530 1.50539992 0.34694229E-02 0.93500000E+04 0.98320001 10.51491951 1.50532177 0.38839766E-02 0.94000000E+04 0.98137905 10.62496860 1.50529358 0.43360943E-02 0.94500000E+04 0.97937500 10.73397362 1.50529881 0.48311899E-02 0.95000000E+04 0.97717460 10.84187816 1.50529774 0.53751163E-02 0.95500000E+04 0.97476493 10.94863003 1.50525776 0.59738469E-02 0.96000000E+04 0.97213374 11.05418290 1.50517832 0.66331654E-02 0.96500000E+04 0.96926979 11.15849786 1.50509096 0.73582615E-02 0.97000000E+04 0.96616320 11.26154478 1.50503459 0.81532014E-02 0.97500000E+04 0.96280570 11.36330320 1.50502529 0.90202812E-02 0.98000000E+04 0.95919078 11.46376286 1.50504369 0.99593548E-02 0.98500000E+04 0.95531379 11.56292358 1.50504982 0.10967320E-01 0.99000000E+04 0.95117185 11.66079459 1.50501427 0.12037945E-01 0.99500000E+04 0.94676368 11.75739328 1.50494167 0.13162199E-01 0.10000000E+05 0.94208933 11.85274356 1.50486758 0.14329026E-01 0.10050000E+05 0.93714980 11.94687382 1.50483099 0.15526320E-01 0.10100000E+05 0.93194670 12.03981493 1.50484370 0.16741863E-01 0.10150000E+05 0.92648184 12.13159813 1.50488018 0.17964095E-01 0.10200000E+05 0.92075688 12.22225332 1.50489606 0.19182572E-01 0.10250000E+05 0.91477309 12.31180762 1.50486188 0.20388168E-01 0.10300000E+05 0.90853116 12.40028451 1.50478658 0.21573089E-01 0.10350000E+05 0.90203111 12.48770332 1.50471176 0.22730853E-01 0.10400000E+05 0.89527234 12.57407930 1.50468046 0.23856308E-01 0.10450000E+05 0.88825372 12.65942401 1.50470433 0.24945534E-01 0.10500000E+05 0.88097375 12.74374602 1.50475417 0.25995537E-01 0.10550000E+05 0.87343079 12.82705184 1.50478111 0.27003812E-01 0.10600000E+05 0.86562329 12.90934687 1.50475329 0.27967922E-01 0.10650000E+05 0.85755001 12.99063638 1.50468062 0.28885135E-01 0.10700000E+05 0.84921027 13.07092631 1.50460794 0.29752169E-01 0.10750000E+05 0.84060406 13.15022393 1.50458122 0.30565022E-01 0.10800000E+05 0.83173221 13.22853821 1.50461253 0.31318991E-01 0.10850000E+05 0.82259642 13.30587996 1.50467035 0.32008908E-01 0.10900000E+05 0.81319932 13.38226176 1.50470246 0.32629498E-01 0.10950000E+05 0.80354441 13.45769763 1.50467509 0.33175798E-01 0.11000000E+05 0.79363611 13.53220259 1.50459926 0.33643514E-01 0.11050000E+05 0.78347964 13.60579218 1.50452371 0.34029205E-01 0.11100000E+05 0.77308105 13.67848182 1.50449867 0.34330400E-01 0.11150000E+05 0.76244709 13.75028634 1.50453800 0.34545742E-01 0.11200000E+05 0.75158520 13.82121943 1.50460816 0.34675122E-01 0.11250000E+05 0.74050344 13.89129321 1.50465199 0.34719653E-01 0.11300000E+05 0.72921038 13.96051788 1.50463071 0.34681413E-01 0.11350000E+05 0.71771505 14.02890147 1.50455338 0.34563088E-01 0.11400000E+05 0.70602687 14.09644970 1.50447128 0.34367685E-01 0.11450000E+05 0.69415561 14.16316595 1.50444016 0.34098345E-01 0.11500000E+05 0.68211136 14.22905151 1.50447886 0.33758227E-01 0.11550000E+05 0.66990458 14.29410590 1.50455491 0.33350599E-01 0.11600000E+05 0.65754614 14.35832742 1.50460771 0.32879116E-01 0.11650000E+05 0.64504743 14.42171389 1.50459292 0.32348090E-01 0.11700000E+05 0.63242046 14.48426334 1.50451617 0.31762601E-01 0.11750000E+05 0.61967793 14.54597488 1.50443038 0.31128410E-01 0.11800000E+05 0.60683325 14.60684928 1.50439703 0.30451640E-01 0.11850000E+05 0.59390059 14.66688948 1.50444021 0.29738242E-01 0.11900000E+05 0.58089482 14.72610086 1.50452755 0.28993505E-01 0.11950000E+05 0.56783137 14.78449115 1.50459209 0.28222007E-01 0.12000000E+05 0.55472614 14.84207024 1.50458053 0.27428017E-01 0.12050000E+05 0.54159534 14.89884959 1.50449365 0.26615945E-01 0.12100000E+05 0.52845530 14.95484165 1.50438853 0.25790476E-01 0.12150000E+05 0.51532235 15.01005913 1.50433874 0.24956325E-01 0.12200000E+05 0.50221267 15.06451431 1.50438106 0.24117740E-01 0.12250000E+05 0.48914216 15.11821843 1.50448781 0.23277997E-01 0.12300000E+05 0.47612637 15.17118114 1.50458432 0.22439244E-01 0.12350000E+05 0.46318042 15.22341020 1.50460035 0.21602880E-01 0.12400000E+05 0.45031890 15.27491121 1.50452011 0.20770210E-01 0.12450000E+05 0.43755591 15.32568749 1.50439458 0.19942894E-01 0.12500000E+05 0.42490492 15.37574016 1.50430638 0.19122954E-01 0.12550000E+05 0.41237882 15.42506820 1.50431257 0.18312446E-01 0.12600000E+05 0.39998986 15.47366871 1.50440630 0.17513099E-01 0.12650000E+05 0.38774965 15.52153712 1.50452284 0.16726193E-01 0.12700000E+05 0.37566914 15.56866753 1.50458457 0.15952824E-01 0.12750000E+05 0.36375863 15.61505294 1.50455355 0.15194413E-01 0.12800000E+05 0.35202776 15.66068559 1.50445457 0.14453074E-01 0.12850000E+05 0.34048550 15.70555719 1.50435368 0.13731561E-01 0.12900000E+05 0.32914013 15.74965914 1.50431112 0.13032860E-01 0.12950000E+05 0.31799927 15.79298268 1.50434372 0.12359721E-01 0.13000000E+05 0.30706989 15.83551902 1.50442025 0.11714414E-01 0.13050000E+05 0.29635828 15.87725935 1.50448838 0.11098802E-01 0.13100000E+05 0.28587013 15.91819497 1.50451159 0.10514620E-01 0.13150000E+05 0.27561050 15.95831728 1.50448854 0.99637028E-02 0.13200000E+05 0.26558387 15.99761785 1.50444357 0.94479505E-02 0.13250000E+05 0.25579414 16.03608855 1.50440246 0.89690484E-02 0.13300000E+05 0.24624465 16.07372155 1.50437675 0.85281625E-02 0.13350000E+05 0.23693822 16.11050945 1.50436561 0.81258029E-02 0.13400000E+05 0.22787713 16.14644532 1.50436730 0.77618806E-02 0.13450000E+05 0.21906316 16.18152275 1.50438628 0.74358581E-02 0.13500000E+05 0.21049762 16.21573595 1.50442704 0.71468782E-02 0.13550000E+05 0.20218131 16.24907988 1.50447934 0.68937871E-02 0.13600000E+05 0.19411457 16.28155037 1.50451288 0.66750753E-02 0.13650000E+05 0.18629728 16.31314427 1.50449455 0.64888287E-02 0.13700000E+05 0.17872886 16.34385956 1.50441795 0.63327595E-02 0.13750000E+05 0.17140831 16.37369539 1.50431911 0.62043102E-02 0.13800000E+05 0.16433415 16.40265206 1.50426108 0.61007611E-02 0.13850000E+05 0.15750448 16.43073086 1.50429311 0.60193009E-02 0.13900000E+05 0.15091695 16.45793396 1.50441006 0.59570715E-02 0.13950000E+05 0.14456879 16.48426416 1.50454496 0.59112001E-02 0.14000000E+05 0.13845677 16.50972480 1.50460739 0.58788350E-02 0.14050000E+05 0.13257729 16.53431960 1.50454543 0.58571961E-02 0.14100000E+05 0.12692634 16.55805270 1.50438653 0.58436366E-02 0.14150000E+05 0.12149956 16.58092872 1.50422678 0.58357020E-02 0.14200000E+05 0.11629228 16.60295301 1.50417212 0.58311655E-02 0.14250000E+05 0.11129952 16.62413196 1.50426735 0.58280522E-02 0.14300000E+05 0.10651604 16.64447355 1.50446097 0.58246584E-02 0.14350000E+05 0.10193641 16.66398795 1.50463322 0.58195498E-02 0.14400000E+05 0.09755499 16.68268826 1.50467060 0.58115350E-02 0.14450000E+05 0.09336604 16.70059142 1.50453907 0.57996315E-02 0.14500000E+05 0.08936368 16.71771907 1.50431113 0.57830499E-02 0.14550000E+05 0.08554200 16.73409853 1.50412806 0.57611989E-02 0.14600000E+05 0.08189504 16.74976372 1.50411357 0.57336876E-02 0.14650000E+05 0.07841685 16.76475602 1.50429052 0.57003238E-02 0.14700000E+05 0.07510151 16.77912513 1.50455770 0.56610944E-02 0.14750000E+05 0.07194314 16.79292968 1.50474553 0.56161158E-02 0.14800000E+05 0.06893593 16.80623781 1.50471988 0.55655761E-02 0.14850000E+05 0.06607417 16.81912749 1.50447563 0.55097026E-02 0.14900000E+05 0.06335224 16.83168667 1.50415884 0.54487666E-02 0.14950000E+05 0.06076463 16.84401312 1.50398481 0.53830961E-02 0.15000000E+05 0.05830595 16.85621398 1.50409146 0.53130624E-02 0.15050000E+05 0.05597093 16.86840500 1.50443032 0.52390538E-02 0.15100000E+05 0.05375441 16.88070942 1.50478055 0.51614516E-02 0.15150000E+05 0.05165135 16.89325649 1.50488829 0.50806138E-02 0.15200000E+05 0.04965685 16.90617976 1.50464901 0.49968772E-02 0.15250000E+05 0.04776608 16.91961497 1.50420725 0.49105684E-02 0.15300000E+05 0.04597436 16.93369787 1.50387801 0.48220142E-02 0.15350000E+05 0.04427709 16.94856171 1.50392044 0.47315373E-02 0.15400000E+05 0.04266979 16.96433475 1.50433035 0.46394421E-02 0.15450000E+05 0.04114806 16.98113758 1.50482093 0.45460099E-02 0.15500000E+05 0.03970761 16.99908057 1.50502099 0.44514997E-02 0.15550000E+05 0.03834424 17.01826147 1.50475624 0.43561493E-02 0.15600000E+05 0.03705384 17.03876313 1.50420439 0.42601796E-02 0.15650000E+05 0.03583241 17.06065167 1.50378257 0.41638015E-02 0.15700000E+05 0.03467604 17.08397494 1.50382819 0.40672208E-02 0.15750000E+05 0.03358092 17.10876138 1.50432333 0.39706327E-02 0.15800000E+05 0.03254333 17.13501948 1.50489331 0.38742172E-02 0.15850000E+05 0.03155970 17.16273761 1.50509038 0.37781455E-02 0.15900000E+05 0.03062653 17.19188449 1.50474772 0.36825855E-02 0.15950000E+05 0.02974048 17.22241007 1.50412553 0.35877004E-02 0.16000000E+05 0.02889831 17.25424694 1.50371621 0.34936422E-02 0.16050000E+05 0.02809693 17.28731203 1.50384886 0.34005472E-02 0.16100000E+05 0.02733338 17.32150869 1.50441950 0.33085373E-02 0.16150000E+05 0.02660485 17.35672896 1.50497263 0.32177206E-02 0.16200000E+05 0.02590867 17.39285594 1.50506581 0.31281909E-02 0.16250000E+05 0.02524235 17.42976632 1.50462548 0.30400287E-02 0.16300000E+05 0.02460352 17.46733278 1.50400996 0.29533082E-02 0.16350000E+05 0.02398998 17.50542635 1.50371874 0.28681061E-02 0.16400000E+05 0.02339968 17.54391860 1.50398015 0.27844965E-02 0.16450000E+05 0.02283073 17.58268354 1.50456917 0.27025342E-02 0.16500000E+05 0.02228139 17.62159935 1.50500360 0.26222430E-02 0.16550000E+05 0.02175007 17.66054988 1.50493936 0.25436309E-02 0.16600000E+05 0.02123531 17.69942573 1.50444222 0.24667195E-02 0.16650000E+05 0.02073580 17.73812526 1.50392727 0.23915493E-02 0.16700000E+05 0.02025036 17.77655515 1.50381355 0.23181527E-02 0.16750000E+05 0.01977792 17.81463080 1.50417615 0.22465268E-02 0.16800000E+05 0.01931755 17.85227651 1.50469738 0.21766408E-02 0.16850000E+05 0.01886839 17.88942548 1.50494957 0.21084724E-02 0.16900000E+05 0.01842972 17.92601958 1.50474585 0.20420289E-02 0.16950000E+05 0.01800089 17.96200908 1.50427319 0.19773304E-02 0.17000000E+05 0.01758132 17.99735222 1.50392568 0.19143756E-02 0.17050000E+05 0.01717053 18.03201468 1.50397905 0.18531284E-02 0.17100000E+05 0.01676809 18.06596905 1.50436664 0.17935421E-02 0.17150000E+05 0.01637364 18.09919420 1.50475084 0.17355900E-02 0.17200000E+05 0.01598685 18.13167470 1.50482241 0.16792711E-02 0.17250000E+05 0.01560747 18.16340017 1.50454883 0.16245837E-02 0.17300000E+05 0.01523526 18.19436470 1.50417343 0.15715018E-02 0.17350000E+05 0.01487002 18.22456630 1.50400258 0.15199785E-02 0.17400000E+05 0.01451159 18.25400631 1.50416087 0.14699711E-02 0.17450000E+05 0.01415982 18.28268894 1.50449788 0.14214570E-02 0.17500000E+05 0.01381458 18.31062076 1.50472546 0.13744229E-02 0.17550000E+05 0.01347577 18.33781032 1.50466885 0.13288440E-02 0.17600000E+05 0.01314330 18.36426776 1.50439994 0.12846766E-02 0.17650000E+05 0.01281708 18.39000449 1.50415134 0.12418738E-02 0.17700000E+05 0.01249704 18.41503291 1.50411816 0.12004052E-02 0.17750000E+05 0.01218311 18.43936619 1.50431122 0.11602570E-02 0.17800000E+05 0.01187522 18.46301799 1.50455866 0.11214127E-02 0.17850000E+05 0.01157333 18.48600240 1.50465401 0.10838336E-02 0.17900000E+05 0.01127737 18.50833371 1.50453253 0.10474630E-02 0.17950000E+05 0.01098729 18.53002639 1.50431341 0.10122489E-02 0.18000000E+05 0.01070304 18.55109495 1.50418099 0.97816334E-03 0.18050000E+05 0.01042457 18.57155391 1.50423267 0.94519760E-03 0.18100000E+05 0.01015183 18.59141771 1.50441366 0.91333905E-03 0.18150000E+05 0.00988477 18.61070071 1.50456871 0.88255368E-03 0.18200000E+05 0.00962333 18.62941715 1.50457108 0.85278998E-03 0.18250000E+05 0.00936746 18.64758114 1.50443032 0.82399854E-03 0.18300000E+05 0.00911712 18.66520665 1.50427573 0.79614679E-03 0.18350000E+05 0.00887224 18.68230754 1.50423441 0.76921606E-03 0.18400000E+05 0.00863278 18.69889751 1.50432974 0.74318775E-03 0.18450000E+05 0.00839867 18.71499012 1.50447565 0.71803507E-03 0.18500000E+05 0.00816985 18.73059878 1.50454945 0.69372793E-03 0.18550000E+05 0.00794627 18.74573671 1.50449148 0.67024165E-03 0.18600000E+05 0.00772787 18.76041696 1.50435864 0.64755728E-03 0.18650000E+05 0.00751457 18.77465242 1.50427143 0.62565269E-03 0.18700000E+05 0.00730632 18.78845577 1.50430019 0.60449503E-03 0.18750000E+05 0.00710305 18.80183953 1.50441075 0.58404450E-03 0.18800000E+05 0.00690469 18.81481597 1.50450640 0.56426700E-03 0.18850000E+05 0.00671117 18.82739713 1.50450795 0.54514417E-03 0.18900000E+05 0.00652242 18.83959481 1.50441580 0.52667124E-03 0.18950000E+05 0.00633836 18.85142053 1.50431447 0.50884487E-03 0.19000000E+05 0.00615893 18.86288554 1.50429794 0.49165218E-03 0.19050000E+05 0.00598404 18.87400083 1.50437695 0.47506847E-03 0.19100000E+05 0.00581361 18.88477707 1.50447353 0.45906231E-03 0.19150000E+05 0.00564758 18.89522462 1.50450263 0.44360205E-03 0.19200000E+05 0.00548586 18.90535354 1.50444413 0.42866034E-03 0.19250000E+05 0.00532837 18.91517351 1.50435163 0.41421634E-03 0.19300000E+05 0.00517503 18.92469396 1.50430899 0.40025660E-03 0.19350000E+05 0.00502577 18.93392398 1.50435800 0.38677428E-03 0.19400000E+05 0.00488049 18.94287236 1.50445199 0.37376599E-03 0.19450000E+05 0.00473912 18.95154759 1.50449924 0.36122631E-03 0.19500000E+05 0.00460158 18.95995782 1.50445832 0.34914284E-03 0.19550000E+05 0.00446779 18.96811087 1.50437415 0.33749477E-03 0.19600000E+05 0.00433766 18.97601423 1.50432531 0.32625578E-03 0.19650000E+05 0.00421111 18.98367510 1.50435387 0.31539918E-03 0.19700000E+05 0.00408807 18.99110042 1.50443417 0.30490261E-03 0.19750000E+05 0.00396845 18.99829683 1.50449211 0.29475080E-03 0.19800000E+05 0.00385218 19.00527075 1.50447119 0.28493597E-03 0.19850000E+05 0.00373917 19.01202829 1.50439285 0.27545598E-03 0.19900000E+05 0.00362935 19.01857533 1.50433695 0.26631098E-03 0.19950000E+05 0.00352265 19.02491746 1.50435668 0.25749900E-03 0.20000000E+05 0.00341897 19.03106008 1.50442835 0.24901209E-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 -0.009571 1.59527 2 0.1554312 -0.017190 1.04605 3 0.1597487 -0.013438 0.52088 4 0.1640662 -0.003017 0.00657 5 0.1683837 0.006430 -0.51030 6 0.1727013 0.009307 -1.03662 7 0.1770188 0.005295 -1.56618 8 0.1813363 -0.001265 -2.08203 9 0.1856539 -0.005131 -2.57129 10 0.1899714 -0.004061 -3.03673 11 0.1942889 0.000053 2.78900 12 0.1986065 0.003334 2.32233 13 0.2029240 0.003275 1.84256 14 0.2072415 0.000519 1.36660 15 0.2115591 -0.002143 0.91635 16 0.2158766 -0.002383 0.49513 17 0.2201941 -0.000243 0.08721 18 0.2245117 0.002123 -0.32445 19 0.2288292 0.002459 -0.74010 20 0.2331467 0.000446 -1.14131 21 0.2374643 -0.001959 -1.51286 22 0.2417818 -0.002298 -1.85966 23 0.2460993 -0.000094 -2.19879 24 0.2504169 0.002387 -2.54095 25 0.2547344 0.002311 -2.87932 26 0.2590519 -0.000467 3.08451 27 0.2633695 -0.002809 2.78775 28 0.2676870 -0.001753 2.50164 29 0.2720045 0.001639 2.21263 30 0.2763221 0.003129 1.92083 31 0.2806396 0.000606 1.63939 32 0.2849571 -0.002779 1.37615 33 0.2892746 -0.002445 1.12288 34 0.2935922 0.001285 0.86583 35 0.2979097 0.003236 0.60337 36 0.3022272 0.000527 0.34863 37 0.3065448 -0.003037 0.11069 38 0.3108623 -0.002230 -0.11857 39 0.3151798 0.001797 -0.35282 40 0.3194974 0.002973 -0.59164 41 0.3238149 -0.000536 -0.82019 42 0.3281324 -0.003320 -1.03176 43 0.3324500 -0.001015 -1.23785 44 0.3367675 0.002733 -1.45084 45 0.3410850 0.001938 -1.66485 46 0.3454026 -0.002084 -1.86430 47 0.3497201 -0.002764 -2.04924 48 0.3540376 0.000960 -2.23537 49 0.3583552 0.002846 -2.42966 50 0.3626727 -0.000240 -2.61845 51 0.3669902 -0.003046 -2.78994 52 0.3713078 -0.000860 -2.95443 53 0.3756253 0.002460 -3.12784 54 0.3799428 0.001197 2.97794 55 0.3842604 -0.002338 2.81495 56 0.3885779 -0.001967 2.66589 57 0.3928954 0.001502 2.51172 58 0.3972129 0.001866 2.34705 59 0.4015305 -0.001391 2.19106 60 0.4058480 -0.002349 2.05337 61 0.4101655 0.000613 1.91618 62 0.4144831 0.002063 1.76520 63 0.4188006 -0.000510 1.61670 64 0.4231181 -0.002296 1.48872 65 0.4274357 -0.000117 1.36701 66 0.4317532 0.001896 1.23035 67 0.4360707 0.000086 1.09045 68 0.4403883 -0.002091 0.97177 69 0.4447058 -0.000631 0.86409 70 0.4490233 0.001662 0.74076 71 0.4533409 0.000532 0.60924 72 0.4576584 -0.001819 0.49936 73 0.4619759 -0.000924 0.40422 74 0.4662935 0.001579 0.29229 75 0.4706110 0.001048 0.16805 76 0.4749285 -0.001343 0.06652 77 0.4792461 -0.000743 -0.01769 78 0.4835636 0.002038 -0.12129 79 0.4878811 0.001878 -0.24017 80 0.4921987 -0.000641 -0.33334 81 0.4965162 -0.000054 -0.40773 82 0.5008337 0.003141 -0.50605 83 0.5051512 0.003107 -0.62092 84 0.5094688 0.000533 -0.70489 85 0.5137863 0.001730 -0.77117 86 0.5181038 0.005610 -0.86903 87 0.5224214 0.005478 -0.98185 88 0.5267389 0.003226 -1.05600 89 0.5310564 0.005920 -1.11787 90 0.5353740 0.010645 -1.22185 91 0.5396915 0.010349 -1.33308 92 0.5440090 0.009449 -1.39665 93 0.5483266 0.014735 -1.46114 ******************************************************************************** PRINTING SCATTERING AND REACTION PROBABILITIES ******************************************************************************** etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.150000 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.43844175D+01 trans energy = 0.20714286D+00 trans energy in z = 0.20714286D+00 total momentum = 0.74792309D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9994181E+00 0.1520310E-01 0.2949175E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.1218766E-05 0 21 2 -2 0.1247342E-06 0 26 2 -1 0.4936825E-06 0 32 2 0 0.4480275E-06 0 37 2 1 0.4086731E-05 0 42 2 2 0.9531323E-05 0 13 4 -4 0.2416098E-08 0 17 4 -3 0.9561715E-08 0 22 4 -2 0.2462576E-07 0 27 4 -1 0.1617645E-06 0 33 4 0 0.5216548E-06 0 38 4 1 0.4735516E-05 0 43 4 2 0.3422250E-04 0 47 4 3 0.1868555E-03 0 51 4 4 0.2874632E-03 0 7 6 -6 0.4878252E-11 0 10 6 -5 0.1470298E-10 0 14 6 -4 0.5149998E-10 0 18 6 -3 0.1514895E-08 0 23 6 -2 0.7622447E-08 0 28 6 -1 0.1333204E-06 0 34 6 0 0.2367926E-06 0 39 6 1 0.8506108E-05 0 44 6 2 0.1076656E-03 0 48 6 3 0.3625292E-02 0 52 6 4 0.7085623E-01 0 55 6 5 0.8518538E+00 0 58 6 6 0.7243614E-01 0 3 8 -8 0.3222190E-18 0 5 8 -7 0.1115261E-14 0 8 8 -6 0.1516967E-16 0 11 8 -5 0.5696384E-17 0 15 8 -4 0.2836716E-14 0 19 8 -3 0.2388573E-16 0 24 8 -2 0.2260846E-18 0 29 8 -1 0.1521245E-10 0 35 8 0 0.1318460E-18 0 40 8 1 0.8785040E-17 0 45 8 2 0.2245187E-09 0 49 8 3 0.1423289E-16 0 53 8 4 0.7154943E-18 0 56 8 5 0.1428038E-06 0 59 8 6 0.1380315E-17 0 61 8 7 0.4522382E-16 0 63 8 8 0.2196541E-09 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.0000000E+00 1 21 2 -2 0.0000000E+00 1 26 2 -1 0.0000000E+00 1 32 2 0 0.0000000E+00 1 37 2 1 0.0000000E+00 1 42 2 2 0.0000000E+00 1 13 4 -4 0.0000000E+00 1 17 4 -3 0.0000000E+00 1 22 4 -2 0.0000000E+00 1 27 4 -1 0.0000000E+00 1 33 4 0 0.0000000E+00 1 38 4 1 0.0000000E+00 1 43 4 2 0.0000000E+00 1 47 4 3 0.0000000E+00 1 51 4 4 0.0000000E+00 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1115169E-15 1 0.7773042E-07 2 0.2616803E-06 3 0.1782345E-06 4 0.1315870E-06 5 0.1144568E-06 6 0.3694773E-06 7 0.7084804E-07 8 0.1475212E-07 9 0.0000000E+00 v, j, mj = 0 2 -2 0 0.6452793E-17 1 0.1502087E-07 2 0.1659109E-07 3 0.1274333E-07 4 0.1205081E-07 5 0.1507493E-07 6 0.2534086E-07 7 0.1534140E-07 8 0.1257093E-07 9 0.0000000E+00 v, j, mj = 0 2 -1 0 0.1050606E-06 1 0.3061328E-07 2 0.1284392E-06 3 0.7752908E-07 4 0.4907053E-07 5 0.5651869E-07 6 0.2084941E-07 7 0.2176993E-07 8 0.3831853E-08 9 0.0000000E+00 v, j, mj = 0 2 0 0 0.3531967E-15 1 0.5480062E-07 2 0.5948686E-07 3 0.6107324E-07 4 0.8547224E-07 5 0.8261198E-07 6 0.8646048E-07 7 0.1387507E-07 8 0.4246990E-08 9 0.0000000E+00 v, j, mj = 0 2 1 0 0.2755798E-16 1 0.1864878E-05 2 0.7326942E-06 3 0.6955902E-06 4 0.4288818E-06 5 0.1148290E-06 6 0.2026046E-06 7 0.4280235E-07 8 0.4450376E-08 9 0.0000000E+00 v, j, mj = 0 2 2 0 0.4013159E-07 1 0.2000551E-06 2 0.3188286E-05 3 0.1865283E-05 4 0.3329130E-05 5 0.5890166E-06 6 0.2930816E-06 7 0.1293549E-07 8 0.1340412E-07 9 0.0000000E+00 v, j, mj = 0 4 -4 0 0.1904994E-11 1 0.5198818E-10 2 0.2677221E-09 3 0.9321310E-10 4 0.3373108E-10 5 0.3479845E-09 6 0.5722220E-09 7 0.1047332E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.2742054E-16 1 0.2847539E-08 2 0.8878609E-09 3 0.3481128E-09 4 0.6180870E-09 5 0.1590470E-08 6 0.2830286E-08 7 0.4393589E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.4392335E-16 1 0.5651571E-08 2 0.3654782E-08 3 0.6813416E-08 4 0.3442396E-08 5 0.2164065E-08 6 0.1823707E-08 7 0.1075819E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.2578963E-08 1 0.8829003E-08 2 0.4901528E-07 3 0.2061045E-07 4 0.2280840E-07 5 0.2882513E-07 6 0.2476783E-07 7 0.4329413E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.1440706E-15 1 0.1306578E-07 2 0.1028193E-06 3 0.1994305E-06 4 0.1368840E-06 5 0.2272538E-07 6 0.3474147E-07 7 0.1198839E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.2009713E-15 1 0.3690320E-06 2 0.1948741E-05 3 0.1657753E-05 4 0.2743934E-06 5 0.3527911E-06 6 0.1247996E-06 7 0.8005271E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.6308888E-07 1 0.8852184E-06 2 0.2202021E-04 3 0.8138030E-05 4 0.2468432E-05 5 0.4788153E-06 6 0.1379101E-06 7 0.3079624E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.3579638E-15 1 0.8450266E-04 2 0.3077260E-04 3 0.5454243E-04 4 0.1476093E-04 5 0.2029750E-05 6 0.1959238E-06 7 0.5119713E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1583188E-15 1 0.1020076E-03 2 0.2698302E-04 3 0.9516002E-04 4 0.5900537E-04 5 0.4214348E-05 6 0.8088539E-07 7 0.1195376E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.1975790E-15 1 0.2420211E-12 2 0.2493480E-12 3 0.6386999E-12 4 0.9893872E-12 5 0.2758598E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.3194137E-17 1 0.6938299E-12 2 0.7275695E-12 3 0.6075579E-12 4 0.5464819E-11 5 0.7209202E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.9038661E-14 1 0.2312994E-12 2 0.7037515E-11 3 0.6766492E-11 4 0.2635747E-10 5 0.1109816E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.3908959E-18 1 0.3804819E-10 2 0.2713574E-10 3 0.1492275E-09 4 0.8453136E-09 5 0.4551699E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1506242E-17 1 0.8878592E-09 2 0.1397911E-08 3 0.2165477E-08 4 0.1131358E-08 5 0.2039842E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.6708054E-08 1 0.1240666E-07 2 0.3070632E-07 3 0.1732478E-07 4 0.4661215E-07 5 0.1956243E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.9352872E-17 1 0.3947766E-07 2 0.7258855E-07 3 0.2216228E-07 4 0.4201117E-07 5 0.6055294E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.3631553E-16 1 0.2042359E-05 2 0.3762040E-05 3 0.1482455E-05 4 0.9119405E-06 5 0.3073139E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2630669E-06 1 0.1134725E-04 2 0.7286615E-04 3 0.2225659E-04 4 0.7281370E-06 5 0.2043825E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.2625186E-15 1 0.8505869E-03 2 0.2348814E-02 3 0.4093734E-03 4 0.1606481E-04 5 0.4528104E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.6345294E-16 1 0.2967216E-01 2 0.3680523E-01 3 0.4309404E-02 4 0.6924941E-04 5 0.1922096E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1252492E+00 1 0.4543713E+00 2 0.2575395E+00 3 0.1457491E-01 4 0.1183634E-03 5 0.4847324E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3826809E-16 1 0.1465483E-01 2 0.4863589E-01 3 0.8976644E-02 4 0.1684720E-03 5 0.3122183E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3222190E-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 = 0 8 -7 0 0.1115261E-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 = 0 8 -6 0 0.1516967E-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 = 0 8 -5 0 0.5696384E-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 = 0 8 -4 0 0.2836716E-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 = 0 8 -3 0 0.2388573E-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 = 0 8 -2 0 0.2260846E-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 = 0 8 -1 0 0.1521245E-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 = 0 8 0 0 0.1318460E-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 = 0 8 1 0 0.8785040E-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 = 0 8 2 0 0.2245187E-09 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1423289E-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 = 0 8 4 0 0.7154943E-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 = 0 8 5 0 0.1428038E-06 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 = 0 8 6 0 0.1380315E-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 = 0 8 7 0 0.4522382E-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 = 0 8 8 0 0.2196541E-09 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 0.9994181 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294918 average diffraction energy (ev) = 0.015203 the reaction probability = 0.5819410D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.43272747D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1002585E+01 0.2510407E-01 0.2947931E+00 1 0.6675373E-08 0.1778196E-01 0.5775653E-02 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.2576825E-05 0 21 2 -2 0.2306739E-06 0 26 2 -1 0.1047717E-05 0 32 2 0 0.1188286E-05 0 37 2 1 0.1006590E-04 0 42 2 2 0.2327602E-04 0 13 4 -4 0.5335767E-08 0 17 4 -3 0.2151453E-07 0 22 4 -2 0.4617609E-07 0 27 4 -1 0.6808148E-06 0 33 4 0 0.3501255E-05 0 38 4 1 0.2737631E-04 0 43 4 2 0.1544391E-03 0 47 4 3 0.3999520E-03 0 51 4 4 0.7277374E-03 0 7 6 -6 0.2843259E-10 0 10 6 -5 0.5808720E-10 0 14 6 -4 0.1824141E-09 0 18 6 -3 0.2280722E-08 0 23 6 -2 0.2132336E-07 0 28 6 -1 0.1432958E-06 0 34 6 0 0.6668630E-06 0 39 6 1 0.1926172E-04 0 44 6 2 0.4344679E-03 0 48 6 3 0.9614737E-02 0 52 6 4 0.1271767E+00 0 55 6 5 0.7003269E+00 0 58 6 6 0.1636475E+00 0 3 8 -8 0.1291559E-12 0 5 8 -7 0.4254056E-12 0 8 8 -6 0.1730019E-12 0 11 8 -5 0.2706790E-12 0 15 8 -4 0.3219697E-11 0 19 8 -3 0.4264606E-10 0 24 8 -2 0.2635226E-09 0 29 8 -1 0.1085241E-08 0 35 8 0 0.4041588E-08 0 40 8 1 0.1018578E-07 0 45 8 2 0.5537196E-07 0 49 8 3 0.4673958E-06 0 53 8 4 0.2442808E-05 0 56 8 5 0.4558691E-05 0 59 8 6 0.1494531E-05 0 61 8 7 0.3153542E-05 0 63 8 8 0.3574142E-06 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.5784628E-08 1 21 2 -2 0.2495997E-12 1 26 2 -1 0.2784530E-09 1 32 2 0 0.8125884E-11 1 37 2 1 0.4299008E-09 1 42 2 2 0.1740152E-09 1 13 4 -4 0.0000000E+00 1 17 4 -3 0.0000000E+00 1 22 4 -2 0.0000000E+00 1 27 4 -1 0.0000000E+00 1 33 4 0 0.0000000E+00 1 38 4 1 0.0000000E+00 1 43 4 2 0.0000000E+00 1 47 4 3 0.0000000E+00 1 51 4 4 0.0000000E+00 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.3769739E-14 1 0.1878302E-06 2 0.7027557E-06 3 0.9231175E-06 4 0.1795324E-06 5 0.1791905E-06 6 0.2872424E-06 7 0.8979276E-07 8 0.1720282E-07 9 0.1016065E-07 v, j, mj = 0 2 -2 0 0.1483062E-14 1 0.2600515E-07 2 0.3883444E-07 3 0.3471313E-07 4 0.3444228E-07 5 0.5152483E-07 6 0.1756235E-07 7 0.1252221E-07 8 0.1404811E-07 9 0.1021404E-08 v, j, mj = 0 2 -1 0 0.2355020E-06 1 0.2933561E-07 2 0.1664910E-06 3 0.3390904E-06 4 0.1239049E-06 5 0.1003899E-06 6 0.2387286E-07 7 0.2249569E-07 8 0.6529621E-08 9 0.1046780E-09 v, j, mj = 0 2 0 0 0.2790382E-14 1 0.1682362E-06 2 0.1636547E-06 3 0.3070003E-06 4 0.2861839E-06 5 0.1435203E-06 6 0.7290186E-07 7 0.3732302E-07 8 0.9153189E-08 9 0.3128041E-09 v, j, mj = 0 2 1 0 0.7590267E-15 1 0.1083048E-05 2 0.4930821E-05 3 0.2707609E-05 4 0.8206920E-06 5 0.2798730E-06 6 0.1886163E-06 7 0.4761334E-07 8 0.7520565E-08 9 0.1076652E-09 v, j, mj = 0 2 2 0 0.3331204E-07 1 0.2122119E-05 2 0.1545693E-04 3 0.2302529E-05 4 0.2026127E-05 5 0.9344798E-06 6 0.3101005E-06 7 0.3798280E-07 8 0.5226702E-07 9 0.1717547E-09 v, j, mj = 0 4 -4 0 0.9048583E-11 1 0.1594441E-09 2 0.1087733E-08 3 0.2156491E-09 4 0.3102124E-09 5 0.2312697E-09 6 0.9176677E-09 7 0.1931651E-08 8 0.4730918E-09 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.9045692E-15 1 0.1027282E-07 2 0.1196835E-08 3 0.1649786E-08 4 0.1498465E-08 5 0.1942192E-08 6 0.2752089E-08 7 0.2008928E-08 8 0.1934156E-09 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.6240324E-15 1 0.8832223E-08 2 0.1988566E-08 3 0.1568318E-07 4 0.8793026E-08 5 0.6069088E-08 6 0.3026643E-08 7 0.1511095E-08 8 0.2722678E-09 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.4631707E-07 1 0.8860680E-07 2 0.1938855E-06 3 0.1640521E-06 4 0.1212378E-06 5 0.2941347E-07 6 0.2420069E-07 7 0.1241532E-07 8 0.6860592E-09 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.2512664E-14 1 0.1196041E-06 2 0.1167247E-05 3 0.1569452E-05 4 0.5341987E-06 5 0.6843210E-07 6 0.2635478E-07 7 0.1495613E-07 8 0.1009609E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.8108871E-14 1 0.3834948E-05 2 0.9939809E-05 3 0.1135653E-04 4 0.1747831E-05 5 0.3506000E-06 6 0.1191890E-06 7 0.2671258E-07 8 0.6925770E-09 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.2064919E-06 1 0.1152938E-04 2 0.9177814E-04 3 0.4024692E-04 4 0.8975342E-05 5 0.1511343E-05 6 0.1639455E-06 7 0.2667981E-07 8 0.8369354E-09 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.2032670E-13 1 0.2282441E-03 2 0.4629827E-04 3 0.7808282E-04 4 0.4123298E-04 5 0.5646224E-05 6 0.3704109E-06 7 0.7638181E-07 8 0.7827203E-09 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.3126490E-14 1 0.2240192E-03 2 0.2353104E-03 3 0.5275447E-04 4 0.1842424E-03 5 0.3077825E-04 6 0.5708692E-06 7 0.5770122E-07 8 0.4109339E-08 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.1825544E-14 1 0.1321423E-12 2 0.3306021E-12 3 0.8217275E-12 4 0.3440271E-11 5 0.1206699E-10 6 0.1163903E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1369177E-15 1 0.1853656E-11 2 0.1201000E-11 3 0.1129775E-11 4 0.5647007E-11 5 0.1897068E-10 6 0.2928494E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2970489E-12 1 0.3059068E-11 2 0.3771897E-10 3 0.6495959E-11 4 0.2793567E-10 5 0.6043722E-10 6 0.4647021E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1395883E-16 1 0.1592875E-09 2 0.2760012E-09 3 0.6033082E-09 4 0.7076480E-09 5 0.2046440E-09 6 0.3298328E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.5510249E-16 1 0.1513318E-08 2 0.3970879E-09 3 0.9234436E-08 4 0.1431482E-08 5 0.6397628E-08 6 0.2349409E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.7180762E-08 1 0.1632521E-07 2 0.2036333E-07 3 0.3980275E-07 4 0.4564946E-07 5 0.7941318E-08 6 0.6032991E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.5892230E-17 1 0.6665292E-07 2 0.1917038E-06 3 0.1346048E-06 4 0.1017518E-06 5 0.1432447E-06 6 0.2890506E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.5836498E-15 1 0.2845564E-05 2 0.7912471E-05 3 0.7521792E-05 4 0.7891933E-06 5 0.1413680E-06 6 0.5133572E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.3526768E-06 1 0.1693668E-04 2 0.2477156E-03 3 0.1582143E-03 4 0.1062652E-04 5 0.5479935E-06 6 0.7412313E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.3229462E-14 1 0.4801035E-03 2 0.6485120E-02 3 0.2500075E-02 4 0.1486571E-03 5 0.7171697E-06 6 0.6365498E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2919428E-15 1 0.2550233E-01 2 0.8019980E-01 3 0.2064943E-01 4 0.8203781E-03 5 0.4673682E-05 6 0.6357495E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1776216E+00 1 0.1207006E+00 2 0.3455268E+00 3 0.5518563E-01 4 0.1285827E-02 5 0.6477734E-05 6 0.1027902E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3216714E-15 1 0.2074297E-02 2 0.9355248E-01 3 0.6384644E-01 4 0.4147635E-02 5 0.2661273E-04 6 0.6283139E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1197661E-16 1 0.3251534E-13 2 0.7613925E-13 3 0.2048938E-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 = 0 8 -7 0 0.8702615E-13 1 0.1839845E-12 2 0.6834084E-13 3 0.8605406E-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 = 0 8 -6 0 0.1437733E-15 1 0.8505019E-14 2 0.1465117E-12 3 0.1784140E-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 = 0 8 -5 0 0.1454905E-17 1 0.1152162E-12 2 0.1466355E-12 3 0.8825821E-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 = 0 8 -4 0 0.3024383E-13 1 0.1442020E-12 2 0.1723911E-11 3 0.1321340E-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 = 0 8 -3 0 0.2883528E-16 1 0.4002294E-11 2 0.2532319E-10 3 0.1332055E-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 = 0 8 -2 0 0.7431788E-18 1 0.6854538E-10 2 0.1499417E-09 3 0.4503553E-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 = 0 8 -1 0 0.4763686E-10 1 0.7760710E-10 2 0.8302061E-09 3 0.1297908E-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 = 0 8 0 0 0.5134624E-17 1 0.4264478E-09 2 0.2080402E-08 3 0.1534738E-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 = 0 8 1 0 0.1707474E-16 1 0.1085243E-08 2 0.6222820E-08 3 0.2877714E-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 = 0 8 2 0 0.4708720E-09 1 0.3367559E-08 2 0.2566877E-07 3 0.2586476E-07 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 8 3 0 0.1348438E-16 1 0.3280682E-06 2 0.1009926E-06 3 0.3833498E-07 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 8 4 0 0.9771745E-17 1 0.5921465E-06 2 0.1801638E-05 3 0.4902281E-07 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 8 5 0 0.3302076E-05 1 0.4210651E-06 2 0.8190845E-06 3 0.1646487E-07 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 8 6 0 0.1359984E-16 1 0.2502205E-06 2 0.1175651E-05 3 0.6865987E-07 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 8 7 0 0.3185850E-16 1 0.2554216E-05 2 0.5795905E-06 3 0.1973638E-07 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 8 8 0 0.1813940E-07 1 0.1855665E-06 2 0.9674518E-07 3 0.5696312E-07 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 0 0 0 0.6152532E-17 1 0.2192178E-08 2 0.3592450E-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 = 1 2 -2 0 0.8224957E-18 1 0.2495989E-12 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 2 -1 0 0.1744310E-09 1 0.1040220E-09 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 2 0 0 0.3272998E-18 1 0.8125883E-11 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 2 1 0 0.3881734E-17 1 0.4299008E-09 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 2 2 0 0.4178449E-10 1 0.1322307E-09 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0025852 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294793 average diffraction energy (ev) = 0.025104 the reaction probability = -0.2585160D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42701318D+01 trans energy = 0.32142857D+00 trans energy in z = 0.32142857D+00 total momentum = 0.93167448D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9985961E+00 0.3600123E-01 0.2944807E+00 1 0.1592565E-06 0.2128148E-01 0.3927410E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.8263960E-05 0 21 2 -2 0.8078906E-06 0 26 2 -1 0.4710859E-05 0 32 2 0 0.4296829E-05 0 37 2 1 0.3550738E-04 0 42 2 2 0.7082817E-04 0 13 4 -4 0.1951082E-07 0 17 4 -3 0.6944077E-07 0 22 4 -2 0.2440358E-06 0 27 4 -1 0.3417743E-05 0 33 4 0 0.2339542E-04 0 38 4 1 0.1255716E-03 0 43 4 2 0.4736692E-03 0 47 4 3 0.8335843E-03 0 51 4 4 0.1794025E-02 0 7 6 -6 0.7747559E-10 0 10 6 -5 0.1192934E-09 0 14 6 -4 0.6848999E-09 0 18 6 -3 0.4677914E-08 0 23 6 -2 0.4105661E-07 0 28 6 -1 0.1948338E-06 0 34 6 0 0.3085686E-05 0 39 6 1 0.8017216E-04 0 44 6 2 0.1847338E-02 0 48 6 3 0.2647503E-01 0 52 6 4 0.1917991E+00 0 55 6 5 0.4895378E+00 0 58 6 6 0.2854319E+00 0 3 8 -8 0.2800326E-11 0 5 8 -7 0.4564275E-11 0 8 8 -6 0.1380473E-11 0 11 8 -5 0.3771683E-11 0 15 8 -4 0.2289973E-10 0 19 8 -3 0.2230483E-09 0 24 8 -2 0.1256644E-08 0 29 8 -1 0.6018017E-08 0 35 8 0 0.2133602E-07 0 40 8 1 0.5399159E-07 0 45 8 2 0.4418121E-06 0 49 8 3 0.1315052E-05 0 53 8 4 0.2754961E-05 0 56 8 5 0.2871505E-04 0 59 8 6 0.3364782E-05 0 61 8 7 0.3477050E-05 0 63 8 8 0.2795312E-05 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.1475245E-07 1 21 2 -2 0.3842616E-09 1 26 2 -1 0.3762381E-08 1 32 2 0 0.5405437E-08 1 37 2 1 0.7080072E-07 1 42 2 2 0.6415122E-07 1 13 4 -4 0.0000000E+00 1 17 4 -3 0.0000000E+00 1 22 4 -2 0.0000000E+00 1 27 4 -1 0.0000000E+00 1 33 4 0 0.0000000E+00 1 38 4 1 0.0000000E+00 1 43 4 2 0.0000000E+00 1 47 4 3 0.0000000E+00 1 51 4 4 0.0000000E+00 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.3574957E-13 1 0.9375161E-06 2 0.2595500E-05 3 0.3562227E-05 4 0.6130141E-06 5 0.2495204E-06 6 0.2282609E-06 7 0.4676432E-07 8 0.2195174E-07 9 0.9205560E-08 v, j, mj = 0 2 -2 0 0.1352611E-13 1 0.5733579E-07 2 0.1042338E-06 3 0.3321056E-06 4 0.1632694E-06 5 0.8889726E-07 6 0.2679282E-07 7 0.1549895E-07 8 0.1188303E-07 9 0.7873965E-08 v, j, mj = 0 2 -1 0 0.7454106E-06 1 0.1230389E-06 2 0.9298942E-06 3 0.2351984E-05 4 0.3830546E-06 5 0.1210105E-06 6 0.2904306E-07 7 0.2192259E-07 8 0.4338804E-08 9 0.1161422E-08 v, j, mj = 0 2 0 0 0.6677282E-14 1 0.7346079E-06 2 0.6890847E-06 3 0.1840226E-05 4 0.5500567E-06 5 0.1703019E-06 6 0.2800896E-06 7 0.1976501E-07 8 0.9230433E-08 9 0.3466411E-08 v, j, mj = 0 2 1 0 0.1648384E-14 1 0.4360684E-05 2 0.2285708E-04 3 0.4623493E-05 4 0.2218411E-05 5 0.9260964E-06 6 0.4847828E-06 7 0.2728926E-07 8 0.5983674E-08 9 0.3565229E-08 v, j, mj = 0 2 2 0 0.1778903E-06 1 0.8384349E-05 2 0.4321405E-04 3 0.1215430E-04 4 0.1526303E-05 5 0.3987734E-05 6 0.1159659E-05 7 0.1517303E-06 8 0.6041725E-07 9 0.1174390E-07 v, j, mj = 0 4 -4 0 0.6227806E-10 1 0.8840648E-09 2 0.7700594E-08 3 0.7794445E-09 4 0.3250645E-08 5 0.1614303E-08 6 0.1229594E-08 7 0.2355993E-08 8 0.1633902E-08 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.1541025E-14 1 0.3773053E-07 2 0.3745761E-08 3 0.1523422E-07 4 0.4937904E-08 5 0.2922364E-08 6 0.2249095E-08 7 0.2016886E-08 8 0.6040084E-09 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.1694196E-14 1 0.1609060E-07 2 0.8869905E-08 3 0.1339041E-06 4 0.5701408E-07 5 0.1939574E-07 6 0.5625803E-08 7 0.1805713E-08 8 0.1329803E-08 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.1961679E-06 1 0.3123229E-06 2 0.9814868E-06 3 0.1245584E-05 4 0.5718099E-06 5 0.8137218E-07 6 0.1348500E-07 7 0.1128522E-07 8 0.4229118E-08 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.2062936E-13 1 0.3123452E-06 2 0.9512666E-05 3 0.1071719E-04 4 0.2635737E-05 5 0.1596762E-06 6 0.3111755E-07 7 0.1937044E-07 8 0.7318787E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.8907043E-13 1 0.1264701E-04 2 0.5386857E-04 3 0.5094834E-04 4 0.7437213E-05 5 0.5618132E-06 6 0.6690174E-07 7 0.2863984E-07 8 0.1315558E-07 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.2475769E-06 1 0.5474369E-04 2 0.2752327E-03 3 0.1209793E-03 4 0.1927696E-04 5 0.2846368E-05 6 0.2722647E-06 7 0.3995797E-07 8 0.3040142E-07 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.1348232E-12 1 0.5948472E-03 2 0.8279032E-04 3 0.6557875E-04 4 0.6999920E-04 5 0.1886776E-04 6 0.1400129E-05 7 0.7768459E-07 8 0.2322764E-07 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1551821E-13 1 0.2676398E-03 2 0.9199623E-03 3 0.3824212E-04 4 0.3978136E-03 5 0.1626744E-03 6 0.7507570E-05 7 0.1348308E-06 8 0.5051604E-07 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.2032878E-13 1 0.8492545E-12 2 0.1696273E-11 3 0.4223923E-11 4 0.8041579E-11 5 0.3055541E-10 6 0.2008067E-10 7 0.1200815E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.9064699E-15 1 0.1271329E-10 2 0.4698331E-11 3 0.1075520E-10 4 0.1314332E-10 5 0.2013227E-10 6 0.4934476E-10 7 0.8505369E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.9411574E-11 1 0.3176064E-10 2 0.2613606E-09 3 0.2103163E-10 4 0.7366707E-10 5 0.2019720E-09 6 0.7185338E-10 7 0.1384307E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.4869968E-15 1 0.1659832E-09 2 0.6300287E-09 3 0.1785787E-08 4 0.8513569E-09 5 0.3545672E-09 6 0.8459075E-09 7 0.4428303E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.8212716E-15 1 0.3442563E-08 2 0.9088541E-09 3 0.2229533E-07 4 0.5076434E-08 5 0.5372020E-08 6 0.3596118E-08 7 0.3652899E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.4004140E-08 1 0.1856618E-07 2 0.6787955E-08 3 0.6733911E-07 4 0.6876974E-07 5 0.9252116E-08 6 0.1961779E-07 7 0.4967197E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.9569354E-15 1 0.1302665E-06 2 0.9938023E-06 3 0.1361779E-05 4 0.4515367E-06 5 0.1097726E-06 6 0.3518267E-07 7 0.3347108E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1801656E-13 1 0.2048842E-05 2 0.2810507E-04 3 0.4383181E-04 4 0.5714583E-05 5 0.3385973E-06 6 0.1305359E-06 7 0.2717253E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.3030329E-06 1 0.6869279E-04 2 0.8696479E-03 3 0.8112569E-03 4 0.9506580E-04 5 0.2281604E-05 6 0.8566430E-07 7 0.4633577E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.7160028E-13 1 0.8394437E-03 2 0.1543917E-01 3 0.9279927E-02 4 0.9020567E-03 5 0.1418988E-04 6 0.2461813E-06 7 0.2915486E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.3510580E-14 1 0.1525863E-01 2 0.1207759E+00 3 0.5167561E-01 4 0.4031510E-02 5 0.5724022E-04 6 0.2947214E-06 7 0.1872952E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1713586E+00 1 0.3073293E-01 2 0.2044563E+00 3 0.7861612E-01 4 0.4321658E-02 5 0.5189554E-04 6 0.3152144E-06 7 0.8418823E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.7815149E-14 1 0.2514077E-01 2 0.5525491E-01 3 0.1686053E+00 4 0.3558177E-01 5 0.8461094E-03 6 0.3110928E-05 7 0.5320547E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2158323E-16 1 0.1146573E-12 2 0.3838754E-12 3 0.1762001E-11 4 0.5397707E-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 8 -7 0 0.4875903E-13 1 0.4079629E-12 2 0.7022528E-12 3 0.2990739E-11 4 0.4145611E-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 8 -6 0 0.7390109E-16 1 0.8512889E-13 2 0.1160635E-12 3 0.6958072E-12 4 0.4833999E-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 8 -5 0 0.1103128E-16 1 0.2617484E-12 2 0.8050672E-12 3 0.8839208E-12 4 0.1820936E-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 8 -4 0 0.1056838E-13 1 0.3295482E-11 2 0.2528108E-11 3 0.1133873E-10 4 0.5726838E-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 8 -3 0 0.7689427E-17 1 0.1142575E-11 2 0.2438347E-10 3 0.1440602E-09 4 0.5346204E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.4473601E-17 1 0.9705172E-11 2 0.3010926E-09 3 0.4968856E-09 4 0.4489604E-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 8 -1 0 0.5596021E-09 1 0.2845437E-09 2 0.2418791E-08 3 0.2033852E-08 4 0.7212290E-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 8 0 0 0.2868938E-17 1 0.3844482E-09 2 0.1774067E-08 3 0.1268911E-07 4 0.6488395E-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 8 1 0 0.1690046E-16 1 0.3947307E-08 2 0.1033108E-07 3 0.2754206E-07 4 0.1217114E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1703521E-08 1 0.5010532E-08 2 0.1072314E-06 3 0.2891921E-06 4 0.3867461E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.8266045E-16 1 0.2003610E-06 2 0.8023402E-06 3 0.2155620E-06 4 0.9678881E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.2922400E-16 1 0.6338086E-06 2 0.1568175E-05 3 0.4638748E-06 4 0.8910249E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1719947E-04 1 0.1033234E-04 2 0.7645171E-06 3 0.3689837E-06 4 0.4973985E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.4115129E-16 1 0.1028249E-05 2 0.1865454E-05 3 0.3834363E-06 4 0.8764310E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.9805559E-17 1 0.1352359E-05 2 0.1970323E-05 3 0.1089671E-06 4 0.4540031E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1979017E-06 1 0.3535067E-06 2 0.9805222E-06 3 0.1122961E-05 4 0.1404195E-06 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.2915354E-17 1 0.6770569E-10 2 0.4693757E-08 3 0.9503638E-08 4 0.4873545E-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 2 -2 0 0.2194982E-16 1 0.4134242E-10 2 0.2791073E-09 3 0.6381193E-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 2 -1 0 0.4029657E-09 1 0.2044937E-08 2 0.9678989E-09 3 0.3465802E-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 2 0 0 0.4324884E-17 1 0.1041423E-08 2 0.4232974E-08 3 0.1310407E-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 2 1 0 0.1803195E-16 1 0.4476919E-07 2 0.2525623E-07 3 0.7752896E-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 2 2 0 0.2237725E-10 1 0.2868793E-07 2 0.3461013E-07 3 0.8307818E-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 = 0.9985963 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294481 average diffraction energy (ev) = 0.036001 the reaction probability = 0.1403693D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.42129889D+01 trans energy = 0.37857143D+00 trans energy in z = 0.37857143D+00 total momentum = 0.10111041D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9984014E+00 0.4546504E-01 0.2938457E+00 1 0.2421990E-06 0.3993919E-01 0.4651464E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.3449272E-04 0 21 2 -2 0.4089055E-05 0 26 2 -1 0.2268555E-04 0 32 2 0 0.1077382E-04 0 37 2 1 0.1154803E-03 0 42 2 2 0.2315286E-03 0 13 4 -4 0.1049327E-06 0 17 4 -3 0.6188819E-06 0 22 4 -2 0.2329132E-05 0 27 4 -1 0.1906840E-04 0 33 4 0 0.1179608E-03 0 38 4 1 0.4410392E-03 0 43 4 2 0.9912410E-03 0 47 4 3 0.1897969E-02 0 51 4 4 0.3679625E-02 0 7 6 -6 0.2814641E-09 0 10 6 -5 0.8242963E-09 0 14 6 -4 0.3803357E-08 0 18 6 -3 0.9805357E-08 0 23 6 -2 0.1779273E-06 0 28 6 -1 0.1158670E-05 0 34 6 0 0.2299326E-04 0 39 6 1 0.4402044E-03 0 44 6 2 0.6717678E-02 0 48 6 3 0.5892082E-01 0 52 6 4 0.2250403E+00 0 55 6 5 0.3203430E+00 0 58 6 6 0.3791307E+00 0 3 8 -8 0.7022763E-11 0 5 8 -7 0.1394237E-10 0 8 8 -6 0.5777636E-11 0 11 8 -5 0.2818555E-10 0 15 8 -4 0.1441615E-09 0 19 8 -3 0.9506706E-09 0 24 8 -2 0.4320591E-08 0 29 8 -1 0.1084518E-07 0 35 8 0 0.4351131E-07 0 40 8 1 0.1451198E-06 0 45 8 2 0.1650659E-05 0 49 8 3 0.7797170E-05 0 53 8 4 0.1003971E-04 0 56 8 5 0.1540733E-03 0 59 8 6 0.2447587E-04 0 61 8 7 0.1382129E-04 0 63 8 8 0.3357839E-05 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.4217858E-07 1 21 2 -2 0.1942308E-08 1 26 2 -1 0.4318576E-08 1 32 2 0 0.8168688E-08 1 37 2 1 0.8027819E-07 1 42 2 2 0.7909528E-07 1 13 4 -4 0.1276026E-11 1 17 4 -3 0.7153539E-11 1 22 4 -2 0.4152492E-09 1 27 4 -1 0.1644140E-08 1 33 4 0 0.3994176E-09 1 38 4 1 0.6149982E-08 1 43 4 2 0.5054595E-08 1 47 4 3 0.3054307E-08 1 51 4 4 0.9491248E-08 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1439475E-12 1 0.3424600E-05 2 0.1026971E-04 3 0.1355224E-04 4 0.5046030E-05 5 0.1432854E-05 6 0.6866417E-06 7 0.6193853E-07 8 0.1265789E-07 9 0.6055611E-08 v, j, mj = 0 2 -2 0 0.6116776E-13 1 0.2648262E-06 2 0.5633629E-06 3 0.2138237E-05 4 0.8205191E-06 5 0.2425936E-06 6 0.2852301E-07 7 0.1388674E-07 8 0.1305404E-07 9 0.4052672E-08 v, j, mj = 0 2 -1 0 0.3976840E-05 1 0.5809253E-06 2 0.5883616E-05 3 0.1091708E-04 4 0.1127279E-05 5 0.1435921E-06 6 0.3652170E-07 7 0.1202908E-07 8 0.5982901E-08 9 0.1683792E-08 v, j, mj = 0 2 0 0 0.1470254E-13 1 0.2033398E-05 2 0.2848997E-05 3 0.4340770E-05 4 0.3951388E-06 5 0.5455362E-06 6 0.5634760E-06 7 0.3462434E-07 8 0.6703060E-08 9 0.5179150E-08 v, j, mj = 0 2 1 0 0.6347847E-13 1 0.1537241E-04 2 0.5831623E-04 3 0.2809741E-04 4 0.6747990E-05 5 0.5369934E-05 6 0.1481289E-05 7 0.7226967E-07 8 0.1163541E-07 9 0.1112139E-07 v, j, mj = 0 2 2 0 0.1550360E-06 1 0.2067990E-04 2 0.1224793E-03 3 0.3959447E-04 4 0.1693690E-04 5 0.1957094E-04 6 0.1075138E-04 7 0.1226294E-05 8 0.9599022E-07 9 0.3841400E-07 v, j, mj = 0 4 -4 0 0.7888273E-10 1 0.1260452E-07 2 0.5068049E-07 3 0.1278508E-07 4 0.2008184E-07 5 0.3118656E-08 6 0.1501744E-08 7 0.1151631E-08 8 0.2322444E-08 9 0.6073826E-09 v, j, mj = 0 4 -3 0 0.4283137E-14 1 0.3485714E-06 2 0.3166303E-08 3 0.1891208E-06 4 0.6615011E-07 5 0.4311699E-08 6 0.3523182E-08 7 0.2582580E-08 8 0.1017038E-08 9 0.4387622E-09 v, j, mj = 0 4 -2 0 0.3752267E-14 1 0.2456215E-06 2 0.1304099E-06 3 0.1456221E-05 4 0.4460172E-06 5 0.4015752E-07 6 0.6583535E-08 7 0.2131013E-08 8 0.1783452E-08 9 0.2076627E-09 v, j, mj = 0 4 -1 0 0.3636319E-06 1 0.1133633E-05 2 0.6439677E-05 3 0.9049705E-05 4 0.1896089E-05 5 0.1581302E-06 6 0.1128614E-07 7 0.1348149E-07 8 0.2258742E-08 9 0.5047379E-09 v, j, mj = 0 4 0 0 0.9815032E-13 1 0.1004250E-05 2 0.5748071E-04 3 0.5171470E-04 4 0.7421994E-05 5 0.2615135E-06 6 0.5041633E-07 7 0.1384164E-07 8 0.1263160E-07 9 0.7173984E-09 v, j, mj = 0 4 1 0 0.5826122E-12 1 0.4302323E-04 2 0.2361582E-03 3 0.1456434E-03 4 0.1521166E-04 5 0.9003180E-06 6 0.6349615E-07 7 0.1603377E-07 8 0.2068460E-07 9 0.2148729E-08 v, j, mj = 0 4 2 0 0.4633706E-06 1 0.1738462E-03 2 0.5258922E-03 3 0.2552879E-03 4 0.3037537E-04 5 0.4831652E-05 6 0.4307127E-06 7 0.6037988E-07 8 0.5085944E-07 9 0.2272822E-08 v, j, mj = 0 4 3 0 0.4801488E-12 1 0.1255191E-02 2 0.3027853E-03 3 0.8551130E-04 4 0.1711248E-03 5 0.7544386E-04 6 0.7553710E-05 7 0.3024057E-06 8 0.5011898E-07 9 0.6956485E-08 v, j, mj = 0 4 4 0 0.4462068E-13 1 0.1914831E-03 2 0.1737036E-02 3 0.2625098E-03 4 0.7053812E-03 5 0.7118418E-03 6 0.7035416E-04 7 0.9090651E-06 8 0.1077932E-06 9 0.1874645E-08 v, j, mj = 0 6 -6 0 0.1307366E-12 1 0.8034152E-11 2 0.8713254E-11 3 0.1162735E-10 4 0.3809291E-10 5 0.3897446E-10 6 0.8820261E-10 7 0.8768865E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1683326E-14 1 0.1089874E-09 2 0.2702925E-09 3 0.1092816E-09 4 0.3342902E-10 5 0.9892327E-10 6 0.1331258E-09 7 0.7025507E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2857323E-10 1 0.4946190E-09 2 0.1790790E-08 3 0.3361815E-09 4 0.4558418E-09 5 0.1992761E-09 6 0.3530689E-09 7 0.1450063E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2620519E-14 1 0.1022199E-09 2 0.3981609E-08 3 0.2139836E-08 4 0.1616110E-08 5 0.7818125E-09 6 0.7809090E-09 7 0.4028574E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.4103425E-14 1 0.5587586E-07 2 0.1124989E-07 3 0.7515412E-07 4 0.2221489E-07 5 0.3509756E-08 6 0.6573729E-08 7 0.3349007E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.2818960E-07 1 0.1098549E-06 2 0.1030605E-06 3 0.6137397E-06 4 0.2689202E-06 5 0.1584114E-07 6 0.1352689E-07 7 0.5537222E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1196773E-13 1 0.3130501E-06 2 0.6858999E-05 3 0.1246937E-04 4 0.3111340E-05 5 0.1812102E-06 6 0.3867720E-07 7 0.2061928E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2772810E-12 1 0.5221518E-06 2 0.1690312E-03 3 0.2288507E-03 4 0.3976465E-04 5 0.1967626E-05 6 0.5082238E-07 7 0.1727909E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2064811E-06 1 0.3163240E-03 2 0.3016618E-02 3 0.2913820E-02 4 0.4545478E-03 5 0.1595689E-04 6 0.1908067E-06 7 0.1268542E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.6274050E-12 1 0.3335247E-02 2 0.3018377E-01 3 0.2229640E-01 4 0.3009137E-02 5 0.9541887E-04 6 0.8321710E-06 7 0.1981551E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1259097E-13 1 0.4054523E-02 2 0.1333861E+00 3 0.7880623E-01 4 0.8520764E-02 5 0.2697878E-03 6 0.2766119E-05 7 0.7028217E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1454277E+00 1 0.3219660E-01 2 0.1037124E+00 3 0.3323489E-01 4 0.5437364E-02 5 0.3273295E-03 6 0.6567642E-05 7 0.1280554E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.5319003E-13 1 0.3923759E-01 2 0.3451287E-01 3 0.1829654E+00 4 0.1141397E+00 5 0.8204710E-02 6 0.7029688E-04 7 0.9448995E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2658015E-15 1 0.3230619E-12 2 0.1743203E-11 3 0.1906210E-11 4 0.2341789E-11 5 0.7082332E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.3778716E-12 1 0.3230934E-12 2 0.6626602E-12 3 0.2782383E-11 4 0.8280296E-11 5 0.1516066E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1859228E-15 1 0.5377695E-12 2 0.8413773E-12 3 0.1339985E-11 4 0.1711375E-11 5 0.1346943E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1416446E-16 1 0.1937160E-11 2 0.3752400E-11 3 0.3930655E-11 4 0.1260854E-10 5 0.5956784E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2466000E-12 1 0.1338203E-10 2 0.9295664E-11 3 0.2078520E-10 4 0.4413560E-10 5 0.5631639E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.8173617E-16 1 0.1402842E-10 2 0.1161706E-09 3 0.3692802E-09 4 0.1863511E-09 5 0.2648402E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.7641900E-17 1 0.1506971E-10 2 0.5797911E-09 3 0.1351190E-08 4 0.1344737E-08 5 0.1029803E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.3436127E-09 1 0.7335392E-09 2 0.1788929E-08 3 0.1350623E-08 4 0.4764655E-08 5 0.1863815E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.2606459E-16 1 0.1376349E-08 2 0.5222608E-08 3 0.4413493E-08 4 0.2701561E-07 5 0.5483250E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2064946E-15 1 0.8156236E-08 2 0.3876196E-07 3 0.4103930E-07 4 0.4534220E-07 5 0.1182013E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1302947E-08 1 0.5086892E-07 2 0.7239477E-06 3 0.7091132E-06 4 0.1579797E-06 5 0.7447062E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1186174E-14 1 0.4048968E-06 2 0.5549628E-05 3 0.1614687E-05 4 0.1913470E-06 5 0.3661161E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.5858998E-16 1 0.4675870E-05 2 0.4037094E-05 3 0.1037434E-05 4 0.2773298E-06 5 0.1197951E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.5986019E-04 1 0.7949055E-04 2 0.1381140E-04 3 0.5317438E-06 4 0.3367932E-06 5 0.4256694E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2867676E-16 1 0.2157164E-04 2 0.1838118E-05 3 0.9181661E-06 4 0.1283310E-06 5 0.1961551E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.1473481E-14 1 0.9818132E-05 2 0.2380990E-05 3 0.1238620E-05 4 0.3607193E-06 5 0.2283352E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1432281E-06 1 0.6534589E-06 2 0.3250946E-06 3 0.1581046E-05 4 0.5847249E-06 5 0.7028672E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.1504301E-15 1 0.6075174E-08 2 0.9428579E-08 3 0.1750040E-07 4 0.9065362E-08 5 0.1090601E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.3525513E-17 1 0.1200642E-09 2 0.8305128E-09 3 0.3016879E-09 4 0.6900433E-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 2 -1 0 0.2540147E-10 1 0.1881519E-08 2 0.6475027E-09 3 0.9709808E-09 4 0.7931725E-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 2 0 0 0.5815632E-16 1 0.1635423E-08 2 0.1263957E-08 3 0.3713476E-08 4 0.1555832E-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 2 1 0 0.3876767E-16 1 0.2175249E-07 2 0.4274995E-07 3 0.1102654E-07 4 0.4749212E-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 2 2 0 0.1427566E-08 1 0.3614392E-08 2 0.2921031E-07 3 0.4191185E-07 4 0.2931164E-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 4 -4 0 0.1481840E-12 1 0.6944186E-12 2 0.4334238E-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 = 1 4 -3 0 0.2584706E-16 1 0.6161203E-11 2 0.9923100E-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 = 1 4 -2 0 0.1036738E-18 1 0.3842988E-09 2 0.3095037E-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 = 1 4 -1 0 0.1831660E-09 1 0.1437382E-08 2 0.2359170E-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 = 1 4 0 0 0.3991954E-17 1 0.3734915E-09 2 0.2592607E-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 = 1 4 1 0 0.9310135E-17 1 0.5983501E-08 2 0.1664805E-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 = 1 4 2 0 0.1418033E-08 1 0.3400579E-08 2 0.2359825E-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 = 1 4 3 0 0.1094605E-16 1 0.2233256E-08 2 0.8210517E-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 = 1 4 4 0 0.2935797E-16 1 0.8863197E-08 2 0.6280511E-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 sum of the probabilities = 0.9984017 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.293846 average diffraction energy (ev) = 0.045465 the reaction probability = 0.1598350D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41558461D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.9997636E+00 0.5214027E-01 0.2926190E+00 1 0.8723391E-06 0.3966451E-01 0.8719489E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.1582692E-03 0 21 2 -2 0.2661357E-04 0 26 2 -1 0.9626677E-04 0 32 2 0 0.2774149E-04 0 37 2 1 0.3403202E-03 0 42 2 2 0.7089951E-03 0 13 4 -4 0.1108429E-05 0 17 4 -3 0.6782355E-05 0 22 4 -2 0.1770185E-04 0 27 4 -1 0.9837131E-04 0 33 4 0 0.4350058E-03 0 38 4 1 0.1189418E-02 0 43 4 2 0.1631043E-02 0 47 4 3 0.4279765E-02 0 51 4 4 0.6741711E-02 0 7 6 -6 0.1174917E-08 0 10 6 -5 0.7796453E-08 0 14 6 -4 0.3144581E-07 0 18 6 -3 0.1155759E-06 0 23 6 -2 0.1154128E-05 0 28 6 -1 0.1084449E-04 0 34 6 0 0.1531439E-03 0 39 6 1 0.2011594E-02 0 44 6 2 0.1925219E-01 0 48 6 3 0.1015152E+00 0 52 6 4 0.2017777E+00 0 55 6 5 0.2457952E+00 0 58 6 6 0.4126839E+00 0 3 8 -8 0.1738412E-10 0 5 8 -7 0.2290135E-10 0 8 8 -6 0.2943081E-10 0 11 8 -5 0.6389560E-10 0 15 8 -4 0.4945535E-09 0 19 8 -3 0.2089963E-08 0 24 8 -2 0.8558571E-08 0 29 8 -1 0.2668239E-07 0 35 8 0 0.1432932E-06 0 40 8 1 0.1699393E-05 0 45 8 2 0.1254094E-04 0 49 8 3 0.2945432E-04 0 53 8 4 0.7588071E-04 0 56 8 5 0.4673422E-03 0 59 8 6 0.1867310E-03 0 61 8 7 0.2534651E-04 0 63 8 8 0.4239488E-05 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.4258133E-07 1 21 2 -2 0.6778693E-08 1 26 2 -1 0.9230896E-08 1 32 2 0 0.2528316E-07 1 37 2 1 0.7122593E-07 1 42 2 2 0.3136685E-06 1 13 4 -4 0.5290895E-10 1 17 4 -3 0.5974473E-10 1 22 4 -2 0.2830208E-08 1 27 4 -1 0.4509507E-08 1 33 4 0 0.2778495E-08 1 38 4 1 0.1916534E-07 1 43 4 2 0.4031494E-07 1 47 4 3 0.1737248E-06 1 51 4 4 0.1601347E-06 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.4050507E-12 1 0.8812577E-05 2 0.2603094E-04 3 0.4890848E-04 4 0.4690902E-04 5 0.1900239E-04 6 0.7525878E-05 7 0.1027070E-05 8 0.5087949E-07 9 0.2009202E-08 v, j, mj = 0 2 -2 0 0.2673961E-12 1 0.1448109E-05 2 0.4154591E-05 3 0.1218825E-04 4 0.5704361E-05 5 0.2560767E-05 6 0.4559128E-06 7 0.8674056E-07 8 0.7901716E-08 9 0.6944722E-08 v, j, mj = 0 2 -1 0 0.1653127E-04 1 0.6786042E-05 2 0.2663807E-04 3 0.3599002E-04 4 0.8837142E-05 5 0.1126744E-05 6 0.3244936E-06 7 0.2272002E-07 8 0.7845322E-08 9 0.2428274E-08 v, j, mj = 0 2 0 0 0.3998726E-13 1 0.2327555E-05 2 0.1053385E-04 3 0.7600824E-05 4 0.2450780E-05 5 0.2533118E-05 6 0.1918380E-05 7 0.3516273E-06 8 0.2248937E-07 9 0.2866166E-08 v, j, mj = 0 2 1 0 0.5863892E-12 1 0.2535638E-04 2 0.9328811E-04 3 0.1312013E-03 4 0.4283793E-04 5 0.3476083E-04 6 0.1201312E-04 7 0.8365880E-06 8 0.1564612E-07 9 0.1028619E-07 v, j, mj = 0 2 2 0 0.7433794E-07 1 0.3588485E-04 2 0.1685206E-03 3 0.1286907E-03 4 0.1335175E-03 5 0.1266188E-03 6 0.9740997E-04 7 0.1773700E-04 8 0.5044509E-06 9 0.3696032E-07 v, j, mj = 0 4 -4 0 0.4472480E-08 1 0.1981613E-06 2 0.3935960E-06 3 0.2870621E-06 4 0.1903173E-06 5 0.2462646E-07 6 0.4293509E-08 7 0.2115528E-08 8 0.1958194E-08 9 0.1825983E-08 v, j, mj = 0 4 -3 0 0.2520469E-13 1 0.3574331E-05 2 0.5993874E-06 3 0.1922057E-05 4 0.6503406E-06 5 0.2341963E-07 6 0.6943719E-08 7 0.4018402E-08 8 0.1368594E-08 9 0.4883502E-09 v, j, mj = 0 4 -2 0 0.1774705E-14 1 0.2087080E-05 2 0.1928522E-05 3 0.1177544E-04 4 0.1800857E-05 5 0.8933718E-07 6 0.1296212E-07 7 0.5594743E-08 8 0.1216175E-08 9 0.8452804E-09 v, j, mj = 0 4 -1 0 0.5059307E-05 1 0.3593002E-05 2 0.3554799E-04 3 0.5105056E-04 4 0.2872160E-05 5 0.1967674E-06 6 0.3126331E-07 7 0.1433375E-07 8 0.4311142E-08 9 0.1617062E-08 v, j, mj = 0 4 0 0 0.3198838E-12 1 0.4549408E-05 2 0.2601505E-03 3 0.1577484E-03 4 0.1176679E-04 5 0.5703795E-06 6 0.1850528E-06 7 0.1702272E-07 8 0.1560912E-07 9 0.2548712E-08 v, j, mj = 0 4 1 0 0.2106287E-11 1 0.1632223E-03 2 0.7634789E-03 3 0.2342557E-03 4 0.2270829E-04 5 0.4788107E-05 6 0.9041282E-06 7 0.3835181E-07 8 0.1645750E-07 9 0.5332138E-08 v, j, mj = 0 4 2 0 0.1250719E-05 1 0.4037932E-03 2 0.6227096E-03 3 0.4730905E-03 4 0.8471323E-04 5 0.4015737E-04 6 0.5148729E-05 7 0.1123102E-06 8 0.5448925E-07 9 0.1333734E-07 v, j, mj = 0 4 3 0 0.6919860E-12 1 0.2041406E-02 2 0.1022648E-02 3 0.3002634E-03 4 0.4243375E-03 5 0.4297793E-03 6 0.5933047E-04 7 0.1873631E-05 8 0.1045309E-06 9 0.2243884E-07 v, j, mj = 0 4 4 0 0.1296200E-12 1 0.9124567E-04 2 0.2075807E-02 3 0.4550397E-03 4 0.1141523E-02 5 0.2417519E-02 6 0.5448669E-03 7 0.1559324E-04 8 0.1064324E-06 9 0.1066851E-07 v, j, mj = 0 6 -6 0 0.5225558E-12 1 0.2686904E-10 2 0.1736397E-09 3 0.1852289E-09 4 0.9554384E-10 5 0.7198142E-10 6 0.1328556E-09 7 0.1635322E-09 8 0.3247442E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.3141794E-14 1 0.1685401E-08 2 0.5021068E-08 3 0.2215406E-09 4 0.2646884E-09 5 0.1000595E-09 6 0.2562829E-09 7 0.1851755E-09 8 0.6223426E-10 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2001273E-09 1 0.9975286E-08 2 0.1323997E-07 3 0.4191589E-08 4 0.2014622E-08 5 0.4475102E-09 6 0.8417722E-09 7 0.2531212E-09 8 0.2818132E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.4636170E-14 1 0.2675595E-07 2 0.2222600E-07 3 0.4901516E-07 4 0.1388189E-07 5 0.1773406E-08 6 0.1150534E-08 7 0.5337261E-09 8 0.2392566E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1329330E-13 1 0.9553216E-07 2 0.1457770E-06 3 0.7353561E-06 4 0.1614822E-06 5 0.5955276E-08 6 0.5618315E-08 7 0.3424325E-08 8 0.9826199E-09 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1475984E-07 1 0.2777813E-06 2 0.1951542E-05 3 0.6951037E-05 4 0.1568652E-05 5 0.6324646E-07 6 0.1138583E-07 7 0.5110664E-08 8 0.9791978E-09 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.8585575E-13 1 0.2031331E-05 2 0.4982596E-04 3 0.8432872E-04 4 0.1617585E-04 5 0.7183464E-06 6 0.3491459E-07 7 0.2456577E-07 8 0.4244666E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2407123E-11 1 0.9654828E-05 2 0.9266499E-03 3 0.9083776E-03 4 0.1590066E-03 5 0.7797431E-05 6 0.8523210E-07 7 0.1847302E-07 8 0.4392557E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.7005674E-06 1 0.1256009E-02 2 0.9251651E-02 3 0.7464379E-02 4 0.1216566E-02 5 0.6187470E-04 6 0.9584025E-06 7 0.4568908E-07 8 0.4710368E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.3002986E-11 1 0.9428139E-02 2 0.5055779E-01 3 0.3578106E-01 4 0.5455698E-02 5 0.2870386E-03 6 0.5427177E-05 7 0.6613659E-07 8 0.4059331E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2375726E-13 1 0.4217447E-03 2 0.1179501E+00 3 0.7395887E-01 4 0.8868575E-02 5 0.5608450E-03 6 0.1742667E-04 7 0.1013572E-06 8 0.7418305E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1121849E+00 1 0.3135201E-01 2 0.8349817E-01 3 0.6253756E-02 4 0.1009063E-01 5 0.2339907E-02 6 0.7546553E-04 7 0.3122067E-06 8 0.6981847E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2328173E-12 1 0.5638343E-01 2 0.5036241E-01 3 0.1108353E+00 4 0.1629488E+00 5 0.3138460E-01 6 0.7664658E-03 7 0.2889894E-05 8 0.9555506E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.8727606E-14 1 0.1845508E-11 2 0.2374241E-12 3 0.3361383E-11 4 0.8799892E-12 5 0.9222753E-11 6 0.1828334E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.5466757E-12 1 0.7588570E-12 2 0.3198036E-11 3 0.1137642E-11 4 0.5663590E-11 5 0.1018851E-10 6 0.1408042E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.4261845E-14 1 0.5025767E-12 2 0.1916766E-11 3 0.6198561E-11 4 0.6696944E-11 5 0.1334041E-10 6 0.7712869E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1058315E-15 1 0.3604969E-11 2 0.1161754E-10 3 0.1748019E-10 4 0.1878056E-10 5 0.1106627E-10 6 0.1345956E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.1773488E-11 1 0.4601087E-10 2 0.7525743E-10 3 0.1192350E-09 4 0.8822229E-10 5 0.1526700E-09 6 0.1138451E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.4782450E-16 1 0.8357853E-10 2 0.2954059E-09 3 0.1009426E-08 4 0.2233146E-09 5 0.4698655E-09 6 0.8372592E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1493374E-15 1 0.1255024E-09 2 0.1831410E-08 3 0.3138195E-08 4 0.7209057E-09 5 0.2521395E-08 6 0.2211620E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1973622E-09 1 0.1173175E-08 2 0.2955729E-08 3 0.6334664E-08 4 0.2656158E-08 5 0.1324769E-07 6 0.1176062E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1590803E-15 1 0.6627311E-08 2 0.4525057E-07 3 0.5457372E-07 4 0.1460889E-07 5 0.2005216E-07 6 0.2180547E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.4520441E-14 1 0.2098456E-07 2 0.8104859E-06 3 0.6975050E-06 4 0.1034723E-06 5 0.6614655E-07 6 0.7986152E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.8001482E-09 1 0.6760636E-06 2 0.7167841E-05 3 0.4217062E-05 4 0.3872969E-06 5 0.9002316E-07 6 0.1848922E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.9487580E-14 1 0.2019087E-05 2 0.1873182E-04 3 0.8140125E-05 4 0.5315889E-06 5 0.3011487E-07 6 0.1585806E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.4956498E-15 1 0.6032254E-04 2 0.1368034E-04 3 0.1635373E-05 4 0.2078201E-06 5 0.3183363E-07 6 0.2800914E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1191684E-03 1 0.2898008E-03 2 0.5167970E-04 3 0.5719058E-05 4 0.8727175E-06 5 0.8900445E-07 6 0.1251592E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1246013E-14 1 0.9294620E-04 2 0.8268373E-04 3 0.9292304E-05 4 0.1706458E-05 5 0.9245369E-07 6 0.9885705E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.8193636E-13 1 0.1848617E-04 2 0.2763800E-05 3 0.3546108E-05 4 0.2442622E-06 5 0.2786493E-06 6 0.2752376E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1768253E-07 1 0.1078864E-05 2 0.1126244E-05 3 0.1027784E-05 4 0.7149371E-06 5 0.2672745E-06 6 0.6701168E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.6919057E-14 1 0.5356136E-09 2 0.6102955E-08 3 0.2103358E-07 4 0.1131918E-07 5 0.3589996E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.9006587E-16 1 0.8554225E-09 2 0.2227839E-08 3 0.9970424E-09 4 0.1841684E-08 5 0.8567050E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2686057E-09 1 0.4596443E-08 2 0.1055051E-08 3 0.1176438E-08 4 0.1514323E-08 5 0.6200351E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.3896175E-14 1 0.1127987E-08 2 0.7189095E-08 3 0.6943270E-08 4 0.8998668E-08 5 0.1024141E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.6974316E-14 1 0.1170830E-07 2 0.1879310E-07 3 0.9690755E-08 4 0.2827251E-07 5 0.2761257E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.5507744E-08 1 0.7615122E-07 2 0.1174533E-06 3 0.8652907E-07 4 0.2503841E-07 5 0.2988719E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.4582155E-13 1 0.1180537E-11 2 0.1769940E-10 3 0.3398319E-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 4 -3 0 0.1453560E-15 1 0.4738164E-11 2 0.1995994E-10 3 0.3504648E-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 4 -2 0 0.3737272E-17 1 0.7933006E-09 2 0.1346637E-08 3 0.6902706E-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 4 -1 0 0.8096899E-09 1 0.2508424E-08 2 0.1068422E-08 3 0.1229716E-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 4 0 0 0.6800984E-16 1 0.1099794E-09 2 0.1409334E-08 3 0.1259181E-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 4 1 0 0.9823659E-16 1 0.5422060E-08 2 0.1000070E-07 3 0.3742579E-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 4 2 0 0.1742985E-09 1 0.2265119E-08 2 0.3613552E-08 3 0.3426197E-07 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 4 3 0 0.2164160E-16 1 0.1138280E-06 2 0.4938011E-07 3 0.1051671E-07 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 4 4 0 0.9832621E-17 1 0.4940008E-07 2 0.3815714E-07 3 0.7257747E-07 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 = 0.9997645 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.292619 average diffraction energy (ev) = 0.052140 the reaction probability = 0.2355095D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40987032D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1000539E+01 0.5504987E-01 0.2899652E+00 1 0.1301367E-04 0.2422908E-01 0.1164578E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.6211622E-03 0 21 2 -2 0.2860626E-03 0 26 2 -1 0.3177146E-03 0 32 2 0 0.1750608E-03 0 37 2 1 0.8578385E-03 0 42 2 2 0.2033809E-02 0 13 4 -4 0.5183016E-04 0 17 4 -3 0.6519408E-04 0 22 4 -2 0.1143498E-03 0 27 4 -1 0.3910390E-03 0 33 4 0 0.1273671E-02 0 38 4 1 0.2709632E-02 0 43 4 2 0.2730579E-02 0 47 4 3 0.8259257E-02 0 51 4 4 0.1298070E-01 0 7 6 -6 0.1995057E-06 0 10 6 -5 0.4722151E-06 0 14 6 -4 0.4645055E-06 0 18 6 -3 0.1764960E-05 0 23 6 -2 0.9119366E-05 0 28 6 -1 0.7680751E-04 0 34 6 0 0.7499789E-03 0 39 6 1 0.6720446E-02 0 44 6 2 0.4151846E-01 0 48 6 3 0.1338926E+00 0 52 6 4 0.1539301E+00 0 55 6 5 0.2370379E+00 0 58 6 6 0.3916339E+00 0 3 8 -8 0.8516798E-10 0 5 8 -7 0.1247746E-09 0 8 8 -6 0.1265908E-09 0 11 8 -5 0.4350607E-09 0 15 8 -4 0.1248736E-08 0 19 8 -3 0.5498569E-08 0 24 8 -2 0.2393510E-07 0 29 8 -1 0.1835359E-06 0 35 8 0 0.1866406E-05 0 40 8 1 0.1499283E-04 0 45 8 2 0.6136528E-04 0 49 8 3 0.5605122E-04 0 53 8 4 0.4207994E-03 0 56 8 5 0.7916219E-03 0 59 8 6 0.6208826E-03 0 61 8 7 0.1145392E-03 0 63 8 8 0.1500217E-04 0 1 10 -10 0.9704060E-13 0 2 10 -9 0.5253902E-12 0 4 10 -8 0.2153950E-11 0 6 10 -7 0.4452970E-11 0 9 10 -6 0.2314342E-11 0 12 10 -5 0.7865175E-11 0 16 10 -4 0.1011131E-10 0 20 10 -3 0.3571259E-10 0 25 10 -2 0.2441939E-09 0 30 10 -1 0.6054310E-09 0 36 10 0 0.4173254E-08 0 41 10 1 0.1189582E-07 0 46 10 2 0.3367917E-07 0 50 10 3 0.1783058E-06 0 54 10 4 0.8051314E-07 0 57 10 5 0.4388825E-06 0 60 10 6 0.1380162E-06 0 62 10 7 0.1632582E-06 0 64 10 8 0.5335223E-07 0 65 10 9 0.3194149E-07 0 66 10 10 0.1197922E-07 1 31 0 0 0.1791613E-06 1 21 2 -2 0.1876755E-07 1 26 2 -1 0.1664890E-07 1 32 2 0 0.9023215E-07 1 37 2 1 0.3622922E-06 1 42 2 2 0.2696636E-05 1 13 4 -4 0.2778981E-09 1 17 4 -3 0.3254158E-09 1 22 4 -2 0.2166037E-08 1 27 4 -1 0.6571333E-08 1 33 4 0 0.9617167E-08 1 38 4 1 0.3106656E-07 1 43 4 2 0.1948138E-06 1 47 4 3 0.1352181E-05 1 51 4 4 0.8052844E-05 1 7 6 -6 0.2109299E-18 1 10 6 -5 0.5565252E-18 1 14 6 -4 0.2040923E-13 1 18 6 -3 0.6531700E-18 1 23 6 -2 0.1951744E-19 1 28 6 -1 0.2300447E-13 1 34 6 0 0.3233699E-19 1 39 6 1 0.1170844E-18 1 44 6 2 0.2027821E-11 1 48 6 3 0.9671410E-19 1 52 6 4 0.5210479E-19 1 55 6 5 0.6965937E-10 1 58 6 6 0.1164159E-18 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.2282897E-11 1 0.1175965E-04 2 0.2653856E-04 3 0.8217994E-04 4 0.1951619E-03 5 0.1864369E-03 6 0.9707016E-04 7 0.2045680E-04 8 0.1539974E-05 9 0.1838537E-07 v, j, mj = 0 2 -2 0 0.1151854E-11 1 0.5920225E-05 2 0.2681202E-04 3 0.7651237E-04 4 0.8852318E-04 5 0.6184383E-04 6 0.2264940E-04 7 0.3623241E-05 8 0.1683103E-06 9 0.9983343E-08 v, j, mj = 0 2 -1 0 0.5646099E-04 1 0.3461417E-04 2 0.8157142E-04 3 0.6443676E-04 4 0.5533330E-04 5 0.1762688E-04 6 0.6700559E-05 7 0.9264248E-06 8 0.4136264E-07 9 0.2735236E-08 v, j, mj = 0 2 0 0 0.6005929E-12 1 0.2697039E-05 2 0.4087460E-04 3 0.2202569E-04 4 0.5307602E-04 5 0.2814158E-04 6 0.2140389E-04 7 0.6378796E-05 8 0.4560129E-06 9 0.7200059E-08 v, j, mj = 0 2 1 0 0.2954381E-12 1 0.3585133E-04 2 0.1370777E-03 3 0.2769668E-03 4 0.1258729E-03 5 0.1704190E-03 6 0.9695910E-04 7 0.1437801E-04 8 0.3041851E-06 9 0.9434710E-08 v, j, mj = 0 2 2 0 0.5762498E-07 1 0.2720975E-04 2 0.9612573E-04 3 0.1305433E-03 4 0.3983657E-03 5 0.6376090E-03 6 0.5581689E-03 7 0.1765539E-03 8 0.9119705E-05 9 0.5525678E-07 v, j, mj = 0 4 -4 0 0.4381199E-07 1 0.4292352E-05 2 0.9474765E-05 3 0.1782945E-04 4 0.1302616E-04 5 0.5777198E-05 6 0.1295172E-05 7 0.8710516E-07 8 0.2808537E-08 9 0.1331693E-08 v, j, mj = 0 4 -3 0 0.6967287E-13 1 0.2287353E-04 2 0.1365398E-04 3 0.1784633E-04 4 0.9290725E-05 5 0.1437074E-05 6 0.8201948E-07 7 0.7724338E-08 8 0.1580968E-08 9 0.1116634E-08 v, j, mj = 0 4 -2 0 0.2652566E-13 1 0.1105025E-04 2 0.1608338E-04 3 0.7127041E-04 4 0.1283865E-04 5 0.2474382E-05 6 0.5337949E-06 7 0.8830502E-07 8 0.9613749E-08 9 0.1006894E-08 v, j, mj = 0 4 -1 0 0.3822262E-04 1 0.1102251E-04 2 0.1383954E-03 3 0.1978478E-03 4 0.4327378E-05 5 0.7324146E-06 6 0.3997073E-06 7 0.8100018E-07 8 0.7999521E-08 9 0.2087057E-08 v, j, mj = 0 4 0 0 0.8115156E-12 1 0.1735361E-04 2 0.8904775E-03 3 0.3342849E-03 4 0.2472123E-04 5 0.5524310E-05 6 0.1110212E-05 7 0.1696542E-06 8 0.2499951E-07 9 0.4276177E-08 v, j, mj = 0 4 1 0 0.7992171E-11 1 0.5428100E-03 2 0.1836695E-02 3 0.2144203E-03 4 0.6829008E-04 5 0.3529899E-04 6 0.1107650E-04 7 0.1015713E-05 8 0.1699857E-07 9 0.8108306E-08 v, j, mj = 0 4 2 0 0.2192199E-05 1 0.7271660E-03 2 0.6056265E-03 3 0.8543124E-03 4 0.2626409E-03 5 0.2132773E-03 6 0.6092352E-04 7 0.4382472E-05 8 0.4176991E-07 9 0.1594368E-07 v, j, mj = 0 4 3 0 0.2705729E-11 1 0.2250614E-02 2 0.2712657E-02 3 0.7357313E-03 4 0.5819614E-03 5 0.1523601E-02 6 0.4340506E-03 7 0.2041354E-04 8 0.2058165E-06 9 0.2210290E-07 v, j, mj = 0 4 4 0 0.1411026E-11 1 0.1714524E-03 2 0.1846212E-02 3 0.3336622E-03 4 0.1945306E-02 5 0.5806046E-02 6 0.2671684E-02 7 0.2047175E-03 8 0.1595907E-05 9 0.2414788E-07 v, j, mj = 0 6 -6 0 0.1629894E-11 1 0.1009649E-07 2 0.6023564E-07 3 0.6042260E-07 4 0.5440125E-07 5 0.1339263E-07 6 0.4620555E-09 7 0.3016480E-09 8 0.1917561E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.6120818E-14 1 0.1334495E-06 2 0.1689274E-06 3 0.1011228E-06 4 0.5186195E-07 5 0.1501608E-07 6 0.1360493E-08 7 0.3205179E-09 8 0.1563729E-09 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2673537E-08 1 0.1869835E-06 2 0.1243967E-06 3 0.1146706E-06 4 0.2838497E-07 5 0.5003541E-08 6 0.1640883E-08 7 0.4427320E-09 8 0.3090112E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2396928E-13 1 0.6652383E-06 2 0.1338413E-06 3 0.7241030E-06 4 0.2289596E-06 5 0.7732440E-08 6 0.2968440E-08 7 0.1630309E-08 8 0.4870551E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.5252719E-13 1 0.1365471E-07 2 0.1411316E-05 3 0.6511727E-05 4 0.1155507E-05 5 0.1182367E-07 6 0.8693349E-08 7 0.4572992E-08 8 0.2071223E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.4569057E-06 1 0.7600249E-06 2 0.1784196E-04 3 0.5125313E-04 4 0.6323491E-05 5 0.1462981E-06 6 0.1293698E-07 7 0.8666019E-08 8 0.4099379E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.4537877E-12 1 0.1504078E-04 2 0.2953869E-03 3 0.3902621E-03 4 0.4743147E-04 5 0.1765221E-05 6 0.5729725E-07 7 0.2629359E-07 8 0.8777228E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1409760E-10 1 0.7705594E-04 2 0.3801263E-02 3 0.2467195E-02 4 0.3565409E-03 5 0.1799433E-04 6 0.3635214E-06 7 0.2123042E-07 8 0.1268342E-07 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.4174514E-05 1 0.4167568E-02 2 0.2233801E-01 3 0.1300062E-01 4 0.1877074E-02 5 0.1266273E-03 6 0.4268897E-05 7 0.9841289E-07 8 0.1434249E-07 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1037606E-10 1 0.1959098E-01 2 0.6894505E-01 3 0.3946098E-01 4 0.5403585E-02 5 0.4688236E-03 6 0.2271978E-04 7 0.4041646E-06 8 0.1479259E-07 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.7572000E-13 1 0.1721442E-02 2 0.1029889E+00 3 0.4346827E-01 4 0.4631896E-02 5 0.1017289E-02 6 0.1007733E-03 7 0.1492798E-05 8 0.3363585E-07 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.8665712E-01 1 0.1143349E-01 2 0.8844822E-01 3 0.1481224E-01 4 0.2554720E-01 5 0.9598597E-02 6 0.5357753E-03 7 0.5189131E-05 8 0.4708262E-07 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.8786255E-12 1 0.8310669E-01 2 0.6912646E-01 3 0.5498039E-01 4 0.1246264E+00 5 0.5598005E-01 6 0.3783004E-02 7 0.3086913E-04 8 0.3650998E-07 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.4707251E-13 1 0.5533375E-11 2 0.1464674E-10 3 0.2896144E-10 4 0.1356314E-10 5 0.1014694E-10 6 0.1226927E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2736585E-10 1 0.7156702E-11 2 0.2302254E-10 3 0.1520532E-10 4 0.2066877E-10 5 0.1249735E-10 6 0.1885810E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.3210789E-13 1 0.1946796E-10 2 0.2542982E-10 3 0.2155770E-10 4 0.1835770E-10 5 0.2761258E-10 6 0.1413295E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.2668708E-15 1 0.4871849E-10 2 0.1004071E-09 3 0.1023357E-09 4 0.8631389E-10 5 0.5232668E-10 6 0.4495862E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5886017E-11 1 0.1750180E-09 2 0.2035528E-09 3 0.3063734E-09 4 0.3731933E-09 5 0.5023674E-10 6 0.1344755E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.4927912E-15 1 0.1430547E-09 2 0.7532756E-09 3 0.2891671E-08 4 0.4217178E-09 5 0.8779328E-09 6 0.4109173E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.7009307E-15 1 0.5946050E-09 2 0.4929420E-08 3 0.1043352E-07 4 0.3187731E-08 5 0.1529418E-08 6 0.3260406E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.5630285E-08 1 0.7906920E-08 2 0.2748239E-07 3 0.1088535E-06 4 0.2071619E-07 5 0.8432669E-08 6 0.4513941E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1292420E-14 1 0.6870917E-07 2 0.6079267E-06 3 0.9543185E-06 4 0.1830782E-06 5 0.3396203E-07 6 0.1841119E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.3794762E-13 1 0.1583652E-06 2 0.8069020E-05 3 0.5888029E-05 4 0.7248321E-06 5 0.1376296E-06 6 0.1495826E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.6693983E-08 1 0.5321823E-05 2 0.3615120E-04 3 0.1858517E-04 4 0.1239857E-05 5 0.3847842E-07 6 0.2206123E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.4969232E-13 1 0.1018902E-04 2 0.2752037E-04 3 0.1694426E-04 4 0.1209398E-05 5 0.1789410E-06 6 0.9238312E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.5829991E-14 1 0.3423199E-03 2 0.7195779E-04 3 0.6086427E-05 4 0.2114752E-06 5 0.2000493E-06 6 0.2371332E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1689595E-03 1 0.5416279E-03 2 0.6919744E-04 3 0.7389390E-05 4 0.4227818E-05 5 0.1725275E-06 6 0.4724438E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.4897032E-14 1 0.1878096E-03 2 0.3653581E-03 3 0.5891728E-04 4 0.8232061E-05 5 0.5437150E-06 6 0.2186063E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4135492E-12 1 0.6441052E-04 2 0.6942330E-05 3 0.3614999E-04 4 0.6645114E-05 5 0.2541958E-06 6 0.1370176E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8003973E-07 1 0.3383121E-05 2 0.2988825E-05 3 0.6164495E-05 4 0.1975506E-05 5 0.2725706E-06 6 0.1376073E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.6052375E-14 1 0.5689847E-13 2 0.3408976E-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 10 -9 0 0.7383673E-16 1 0.1142401E-12 2 0.4110762E-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 10 -8 0 0.2693217E-17 1 0.1575381E-11 2 0.5785661E-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 10 -7 0 0.5161802E-12 1 0.4948452E-12 2 0.3441945E-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 10 -6 0 0.1420938E-16 1 0.1696833E-11 2 0.6174951E-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 10 -5 0 0.3066908E-17 1 0.4518978E-11 2 0.3346194E-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 10 -4 0 0.8340977E-14 1 0.3451723E-11 2 0.6651244E-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 10 -3 0 0.4205050E-16 1 0.1177241E-10 2 0.2394013E-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 10 -2 0 0.4100683E-17 1 0.1116105E-09 2 0.1325834E-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 10 -1 0 0.1790799E-10 1 0.2230578E-09 2 0.3644653E-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 10 0 0 0.1327485E-17 1 0.7362566E-09 2 0.3436997E-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 10 1 0 0.1759637E-16 1 0.9848052E-09 2 0.1091102E-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 10 2 0 0.2138137E-08 1 0.1469156E-07 2 0.1684948E-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 10 3 0 0.5731633E-16 1 0.1720260E-07 2 0.1611032E-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 10 4 0 0.6223528E-16 1 0.4025957E-07 2 0.4025357E-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 10 5 0 0.1212531E-06 1 0.1220048E-06 2 0.1956246E-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 10 6 0 0.4870818E-17 1 0.7217343E-07 2 0.6584274E-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 10 7 0 0.2388486E-15 1 0.5637663E-07 2 0.1068816E-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 10 8 0 0.9753356E-09 1 0.3988550E-07 2 0.1249139E-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 10 9 0 0.1472022E-15 1 0.1151575E-07 2 0.2042574E-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 10 10 0 0.5975712E-16 1 0.9204185E-08 2 0.2775037E-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 = 1 0 0 0 0.2305166E-13 1 0.1291873E-08 2 0.4519358E-07 3 0.7866834E-07 4 0.4749407E-07 5 0.5547438E-08 6 0.9659501E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1055339E-14 1 0.4830742E-08 2 0.5928678E-08 3 0.1891967E-08 4 0.4729273E-08 5 0.1317719E-08 6 0.6917016E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2484096E-08 1 0.2476697E-08 2 0.6613198E-08 3 0.2562463E-08 4 0.8457088E-09 5 0.1428125E-08 6 0.2386147E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1887102E-13 1 0.5893836E-09 2 0.3235733E-07 3 0.3848062E-07 4 0.1356847E-07 5 0.5177452E-08 6 0.5887546E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1434411E-12 1 0.9981848E-08 2 0.2501637E-06 3 0.6991271E-07 4 0.1324942E-07 5 0.1858266E-07 6 0.4017003E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.2559108E-07 1 0.6205871E-06 2 0.1299256E-05 3 0.6824336E-06 4 0.6258104E-07 5 0.5506815E-08 6 0.6802026E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.3366548E-12 1 0.7883429E-11 2 0.3267380E-10 3 0.8932137E-10 4 0.1476828E-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 4 -3 0 0.1894905E-16 1 0.3791743E-10 2 0.1331308E-10 3 0.1511622E-09 4 0.1230231E-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 4 -2 0 0.1720747E-16 1 0.3143110E-09 2 0.8345068E-09 3 0.7007255E-09 4 0.3164939E-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 4 -1 0 0.1483079E-08 1 0.1055335E-08 2 0.1004620E-08 3 0.1636993E-08 4 0.1391307E-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 4 0 0 0.8841591E-15 1 0.4982481E-09 2 0.3095102E-08 3 0.3915991E-08 4 0.2107825E-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 4 1 0 0.5667890E-14 1 0.8179671E-08 2 0.1286285E-07 3 0.4942219E-08 4 0.5081822E-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 4 2 0 0.2220733E-08 1 0.2047961E-07 2 0.8897814E-07 3 0.7652616E-07 4 0.6609154E-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 4 3 0 0.1489649E-15 1 0.6927249E-06 2 0.5552848E-06 3 0.9791437E-07 4 0.6256911E-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 4 4 0 0.2537921E-16 1 0.4153735E-05 2 0.3592002E-05 3 0.2923450E-06 4 0.1476205E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0005515 average vibrational energy (ev) = 0.000007 average rotational energy (ev) = 0.289963 average diffraction energy (ev) = 0.055049 the reaction probability = -0.5515249D-03 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 108435.5011 (a) ... Propagating the wavefunction 106300.5896 (b) Setup time 1889.0552 Saving the wave function for rerun 46.5389 Calculating averages 5.6787 Calculating and saving BK-coeffs 13.0100 Asymptotic analysis 3.5685 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 108258.4408 (a) ... FFTs along X and Y 4611.6912 Kinetic energy operation along Z 29640.5151 Kinetic energy operation along r 24048.5837 Potential energy multiplication 12069.0436 Legengre transforms 28451.2589 Shifting the wavefunction 2399.2184 Kinetic energy multiplications (xy) 452.4131 Absorbing the wavefunction 527.2159 Projection formalism 17.8068 Operations on specular grid 0.1754 ----------------------------------------------------- Sum 102217.9221 (b) ... Potential initialisation time 0.0000 Potential setup time 1862.5216 FFTs along X 2390.2727 FFTs along Y 2221.4184 Time spent on FGH for asympwf 0.4129 Ending date and time: Sat Aug 3 07:29:14 CEST 2019