Starting date and time: Fri Aug 2 02:34:20 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 023421.128 *** * 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: v0j6mj6-0.15eV-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: 6 * Initial rotational quantum number V: 0 * Only computing the potential: F * Imposing a minimum value on the potential: F * Imposing a maximum value on the potential: T * Maximum value imposed on the potential: 0.10000000E+02 * Using symmetry in setting up the potential: F * Potential mixing alfa value: 0.00000000E+00 * Using a quadratic optical potential on the scattering grid in Z: * Optical potential in Z start at (bohr): 0.15200000E+02 * Optical potential in Z ends at (bohr): 0.18700000E+02 * Optical potential in Z absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the scattering grid in r: * Optical potential in r start at (bohr): 0.45500000E+01 * Optical potential in r ends at (bohr): 0.90500000E+01 * Optical potential in r absorbs optimally for (eV): 0.10000000E+00 * Using a quadratic optical potential on the specular grid in Z: * Optical potential in Z start at (bohr): 0.19800000E+02 * Optical potential in Z ends at (bohr): 0.24100000E+02 * Optical potential in Z specular absorbs optimally for (eV 0.80000000E-01 * Initial energy parallel to the surface (eV): 0.00000000E+00 * Azimuthal angle of the incident molecule (degrees): 0.00000000E+00 * Using a switching function for the potential in Z: F * Switching function starts at (bohr): 0.65000000E+01 * Switching function ends at (bohr): 0.70000000E+01 * S-matrix elements written to file 3: T * Rot-vib-diff resolved probs written to file 25: T * Rot-diff resolved probs written to file 10: T * Dumping debug information to file: F * Dumping full S-matrix to file fil10: F * Tolerance for transferring the wavefunction (nproj = 2): 0.10000000E-08 * Validating the input... * Processing the input... *** THE INPUT FOR ROTATIONAL DEGREES OF FREEDOM *** * J in: 6 * Mj in: 6 * 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 = 6 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.36001205E-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 = 111 iz = 112 iz = 113 iz = 114 iz = 115 iz = 116 iz = 117 iz = 118 iz = 119 iz = 120 iz = 121 iz = 122 iz = 123 iz = 124 iz = 125 iz = 126 iz = 127 iz = 128 iz = 129 iz = 130 iz = 131 iz = 132 iz = 133 iz = 134 iz = 135 iz = 136 iz = 137 iz = 138 iz = 139 iz = 140 iz = 141 iz = 142 iz = 144 iz = 148 iz = 152 iz = 145 iz = 156 iz = 149 iz = 160 iz = 146 iz = 153 iz = 150 iz = 157 iz = 154 iz = 161 iz = 143 iz = 158 iz = 162 iz = 147 iz = 151 iz = 155 iz = 159 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_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 = 0.19239144E+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 = 258 ******************************************************************************** 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 = 15448 ******************************************************************************** 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 1.50437996 0.47394701E-01 0.13000000E+04 0.99999940 14.11763265 1.50437824 0.33589138E-01 0.13500000E+04 0.99999938 13.99129295 1.50437423 0.23771123E-01 0.14000000E+04 0.99999936 13.86493470 1.50437104 0.16830002E-01 0.14500000E+04 0.99999933 13.73855629 1.50437660 0.11939068E-01 0.15000000E+04 0.99999931 13.61215595 1.50438889 0.84968604E-02 0.15500000E+04 0.99999929 13.48573164 1.50439322 0.60728884E-02 0.16000000E+04 0.99999926 13.35928105 1.50439301 0.43625351E-02 0.16500000E+04 0.99999924 13.23280154 1.50439818 0.31518915E-02 0.17000000E+04 0.99999922 13.10629012 1.50440243 0.22914443E-02 0.17500000E+04 0.99999920 12.97974345 1.50441022 0.16769322E-02 0.18000000E+04 0.99999917 12.85315782 1.50442747 0.12356808E-02 0.18500000E+04 0.99999915 12.72652917 1.50445321 0.91698017E-03 0.19000000E+04 0.99999913 12.59985315 1.50447385 0.68536684E-03 0.19500000E+04 0.99999910 12.47312510 1.50448935 0.51596011E-03 0.20000000E+04 0.99999908 12.34634016 1.50451231 0.39123477E-03 0.20500000E+04 0.99999906 12.21949322 1.50453662 0.29879147E-03 0.21000000E+04 0.99999903 12.09257905 1.50456420 0.22981282E-03 0.21500000E+04 0.99999901 11.96559225 1.50460118 0.17799600E-03 0.22000000E+04 0.99999899 11.83852730 1.50464605 0.13881048E-03 0.22500000E+04 0.99999897 11.71137859 1.50468605 0.10898064E-03 0.23000000E+04 0.99999894 11.58414041 1.50471912 0.86124880E-04 0.23500000E+04 0.99999892 11.45680697 1.50475830 0.68500182E-04 0.24000000E+04 0.99999890 11.32937240 1.50480040 0.54823711E-04 0.24500000E+04 0.99999887 11.20183074 1.50484275 0.44145486E-04 0.25000000E+04 0.99999885 11.07417599 1.50489410 0.35757809E-04 0.25500000E+04 0.99999883 10.94640214 1.50495083 0.29130387E-04 0.26000000E+04 0.99999881 10.81850315 1.50500307 0.23863570E-04 0.26500000E+04 0.99999878 10.69047307 1.50504651 0.19654218E-04 0.27000000E+04 0.99999876 10.56230605 1.50509422 0.16272021E-04 0.27500000E+04 0.99999874 10.43399645 1.50514698 0.13539828E-04 0.28000000E+04 0.99999871 10.30553896 1.50519818 0.11321368E-04 0.28500000E+04 0.99999869 10.17692871 1.50525745 0.95110815E-05 0.29000000E+04 0.99999867 10.04816143 1.50532171 0.80267580E-05 0.29500000E+04 0.99999864 9.91923364 1.50538178 0.68038245E-05 0.30000000E+04 0.99999862 9.79014286 1.50543299 0.57921004E-05 0.30500000E+04 0.99999860 9.66088787 1.50548795 0.49513011E-05 0.31000000E+04 0.99999858 9.53146896 1.50555049 0.42495822E-05 0.31500000E+04 0.99999855 9.40188828 1.50561305 0.36615126E-05 0.32000000E+04 0.99999853 9.27215014 1.50568353 0.31667086E-05 0.32500000E+04 0.99999851 9.14226142 1.50576291 0.27487643E-05 0.33000000E+04 0.99999848 9.01223195 1.50584092 0.23944055E-05 0.33500000E+04 0.99999846 8.88207492 1.50591644 0.20928334E-05 0.34000000E+04 0.99999844 8.75180737 1.50600053 0.18352337E-05 0.34500000E+04 0.99999841 8.62145061 1.50610305 0.16144073E-05 0.35000000E+04 0.99999839 8.49103067 1.50621806 0.14244737E-05 0.35500000E+04 0.99999837 8.36057879 1.50635295 0.12603741E-05 0.36000000E+04 0.99999834 8.23013185 1.50651674 0.11185871E-05 0.36500000E+04 0.99999832 8.09973281 1.50670179 0.99550931E-06 0.37000000E+04 0.99999830 7.96943105 1.50691313 0.88832242E-06 0.37500000E+04 0.99999827 7.83928282 1.50716638 0.79467988E-06 0.38000000E+04 0.99999824 7.70935144 1.50748015 0.71264378E-06 0.38500000E+04 0.99999821 7.57970765 1.50785684 0.64060638E-06 0.39000000E+04 0.99999817 7.45042972 1.50830884 0.57721134E-06 0.39500000E+04 0.99999812 7.32160360 1.50885608 0.52109270E-06 0.40000000E+04 0.99999805 7.19332299 1.50950276 0.47166922E-06 0.40500000E+04 0.99999793 7.06568923 1.51026123 0.42787071E-06 0.41000000E+04 0.99999775 6.93881126 1.51115832 0.38895276E-06 0.41500000E+04 0.99999745 6.81280536 1.51222087 0.35426539E-06 0.42000000E+04 0.99999699 6.68779484 1.51346382 0.32325330E-06 0.42500000E+04 0.99999625 6.56390969 1.51490123 0.29546751E-06 0.43000000E+04 0.99999511 6.44128608 1.51655868 0.27056057E-06 0.43500000E+04 0.99999339 6.32006581 1.51844521 0.24805584E-06 0.44000000E+04 0.99999082 6.20039569 1.52056673 0.22807799E-06 0.44500000E+04 0.99998709 6.08242691 1.52294274 0.21013768E-06 0.45000000E+04 0.99998175 5.96631425 1.52558458 0.19394714E-06 0.45500000E+04 0.99997428 5.85221540 1.52848957 0.17925677E-06 0.46000000E+04 0.99996400 5.74029018 1.53164180 0.16588159E-06 0.46500000E+04 0.99995013 5.63069981 1.53502888 0.15369312E-06 0.47000000E+04 0.99993173 5.52360632 1.53862076 0.14258950E-06 0.47500000E+04 0.99990773 5.41917190 1.54237157 0.13247327E-06 0.48000000E+04 0.99987694 5.31755854 1.54623983 0.12325182E-06 0.48500000E+04 0.99983806 5.21892753 1.55017583 0.11484679E-06 0.49000000E+04 0.99978971 5.12343911 1.55411356 0.10719190E-06 0.49500000E+04 0.99973051 5.03125208 1.55797793 0.10001315E-06 0.50000000E+04 0.99965906 4.94252323 1.56169806 0.93650287E-07 0.50500000E+04 0.99957411 4.85740678 1.56520364 0.87811465E-07 0.51000000E+04 0.99947453 4.77605364 1.56841892 0.82419034E-07 0.51500000E+04 0.99935948 4.69861054 1.57128437 0.77415204E-07 0.52000000E+04 0.99922844 4.62521904 1.57375491 0.72764079E-07 0.52500000E+04 0.99908129 4.55601426 1.57579284 0.68442950E-07 0.53000000E+04 0.99891836 4.49112343 1.57737793 0.64432237E-07 0.53500000E+04 0.99874047 4.43066402 1.57851521 0.60710272E-07 0.54000000E+04 0.99854893 4.37474175 1.57923621 0.57255636E-07 0.54500000E+04 0.99834551 4.32344845 1.57958665 0.54050582E-07 0.55000000E+04 0.99813243 4.27686009 1.57963087 0.51080388E-07 0.55500000E+04 0.99791224 4.23503522 1.57944141 0.48148837E-07 0.56000000E+04 0.99768777 4.19801421 1.57907185 0.45612912E-07 0.56500000E+04 0.99746202 4.16581960 1.57854113 0.43264579E-07 0.57000000E+04 0.99723803 4.13845791 1.57782768 0.41086922E-07 0.57500000E+04 0.99701882 4.11592281 1.57687428 0.39042316E-07 0.58000000E+04 0.99680718 4.09819920 1.57560559 0.37121960E-07 0.58500000E+04 0.99660564 4.08526714 1.57396562 0.35316030E-07 0.59000000E+04 0.99641636 4.07710447 1.57195725 0.33615654E-07 0.59500000E+04 0.99624104 4.07368745 1.56965558 0.32042175E-07 0.60000000E+04 0.99608090 4.07498889 1.56720160 0.30530878E-07 0.60500000E+04 0.99593665 4.08097463 1.56476866 0.29060264E-07 0.61000000E+04 0.99580854 4.09159961 1.56250364 0.27751666E-07 0.61500000E+04 0.99569634 4.10680516 1.56046777 0.26541324E-07 0.62000000E+04 0.99559945 4.12651876 1.55860897 0.25149194E-07 0.62500000E+04 0.99551693 4.15065657 1.55678679 0.24071789E-07 0.63000000E+04 0.99544760 4.17912783 1.55483471 0.23097550E-07 0.63500000E+04 0.99539008 4.21183960 1.55264218 0.21976985E-07 0.64000000E+04 0.99534295 4.24869982 1.55021771 0.20955855E-07 0.64500000E+04 0.99530473 4.28961771 1.54769347 0.20302764E-07 0.65000000E+04 0.99527402 4.33450171 1.54526582 0.19491204E-07 0.65500000E+04 0.99524953 4.38325588 1.54310119 0.18295305E-07 0.66000000E+04 0.99523009 4.43577700 1.54125748 0.17701660E-07 0.66500000E+04 0.99521471 4.49195345 1.53965941 0.17839112E-07 0.67000000E+04 0.99520255 4.55166668 1.53814254 0.17055549E-07 0.67500000E+04 0.99519291 4.61479449 1.53654413 0.15574092E-07 0.68000000E+04 0.99518526 4.68121479 1.53478674 0.15978777E-07 0.68500000E+04 0.99517916 4.75080824 1.53291077 0.18184541E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16700000E+02 0.69000000E+04 0.99517426 4.82345912 1.53104279 0.17801355E-07 0.69500000E+04 0.99517031 4.89905410 1.52932163 0.16349971E-07 0.70000000E+04 0.99516710 4.97748023 1.52782525 0.20908024E-07 0.70500000E+04 0.99516446 5.05862308 1.52653833 0.30375225E-07 0.71000000E+04 0.99516228 5.14236611 1.52537605 0.36090917E-07 0.71500000E+04 0.99516046 5.22859161 1.52424057 0.41264193E-07 0.72000000E+04 0.99515892 5.31718268 1.52307284 0.62442342E-07 0.72500000E+04 0.99515760 5.40802530 1.52187260 0.10322027E-06 0.73000000E+04 0.99515645 5.50100971 1.52068292 0.14826432E-06 0.73500000E+04 0.99515543 5.59603057 1.51955673 0.19810694E-06 0.74000000E+04 0.99515448 5.69298603 1.51852822 0.28703857E-06 0.74500000E+04 0.99515357 5.79177645 1.51760399 0.44403457E-06 0.75000000E+04 0.99515265 5.89230331 1.51677124 0.65854313E-06 0.75500000E+04 0.99515165 5.99446904 1.51601004 0.92111102E-06 0.76000000E+04 0.99515052 6.09817765 1.51530041 0.12880232E-05 0.76500000E+04 0.99514915 6.20333578 1.51462251 0.18628760E-05 0.77000000E+04 0.99514746 6.30985379 1.51395721 0.27105985E-05 0.77500000E+04 0.99514529 6.41764612 1.51329298 0.38441630E-05 0.78000000E+04 0.99514249 6.52663104 1.51263623 0.53385599E-05 0.78500000E+04 0.99513885 6.63672984 1.51201446 0.74293166E-05 0.79000000E+04 0.99513410 6.74786588 1.51146399 0.10445064E-04 0.79500000E+04 0.99512791 6.85996403 1.51100715 0.14656098E-04 0.80000000E+04 0.99511990 6.97295068 1.51063323 0.20275446E-04 0.80500000E+04 0.99510955 7.08675411 1.51029809 0.27670727E-04 0.81000000E+04 0.99509630 7.20130514 1.50994730 0.37535332E-04 0.81500000E+04 0.99507942 7.31653742 1.50955059 0.50776637E-04 0.82000000E+04 0.99505807 7.43238727 1.50912396 0.68243028E-04 0.82500000E+04 0.99503124 7.54879304 1.50872139 0.90664182E-04 0.83000000E+04 0.99499778 7.66569442 1.50839961 0.11892628E-03 0.83500000E+04 0.99495630 7.78303177 1.50817863 0.15433938E-03 0.84000000E+04 0.99490523 7.90074603 1.50802533 0.19849574E-03 0.84500000E+04 0.99484276 8.01877894 1.50787275 0.25279473E-03 0.85000000E+04 0.99476680 8.13707332 1.50766421 0.31815046E-03 0.85500000E+04 0.99467497 8.25557320 1.50739231 0.39517739E-03 0.86000000E+04 0.99456459 8.37422355 1.50710445 0.48454047E-03 0.86500000E+04 0.99443259 8.49296966 1.50686983 0.58689748E-03 0.87000000E+04 0.99427552 8.61175651 1.50673052 0.70234134E-03 0.87500000E+04 0.99408949 8.73052830 1.50667069 0.82985634E-03 0.88000000E+04 0.99387010 8.84922833 1.50662647 0.96730996E-03 0.88500000E+04 0.99361240 8.96779895 1.50653035 0.11119213E-02 0.89000000E+04 0.99331084 9.08618151 1.50635905 0.12606496E-02 0.89500000E+04 0.99295916 9.20431611 1.50614998 0.14101295E-02 0.90000000E+04 0.99255037 9.32214107 1.50597407 0.15563246E-02 0.90500000E+04 0.99207663 9.43959233 1.50588402 0.16944036E-02 0.91000000E+04 0.99152924 9.55660309 1.50587534 0.18190865E-02 0.91500000E+04 0.99089854 9.67310363 1.50588906 0.19252712E-02 0.92000000E+04 0.99017391 9.78902135 1.50585440 0.20085718E-02 0.92500000E+04 0.98934367 9.90428099 1.50574052 0.20655749E-02 0.93000000E+04 0.98839518 10.01880484 1.50557892 0.20939297E-02 0.93500000E+04 0.98731475 10.13251299 1.50543998 0.20924867E-02 0.94000000E+04 0.98608785 10.24532377 1.50538043 0.20615940E-02 0.94500000E+04 0.98469909 10.35715436 1.50540065 0.20034787E-02 0.95000000E+04 0.98313251 10.46792188 1.50544400 0.19225679E-02 0.95500000E+04 0.98137171 10.57754461 1.50543904 0.18256035E-02 0.96000000E+04 0.97940017 10.68594350 1.50535310 0.17215043E-02 0.96500000E+04 0.97720152 10.79304357 1.50521693 0.16209623E-02 0.97000000E+04 0.97475986 10.89877527 1.50510169 0.15357317E-02 0.97500000E+04 0.97206002 11.00307564 1.50506531 0.14776104E-02 0.98000000E+04 0.96908787 11.10588925 1.50510811 0.14571940E-02 0.98500000E+04 0.96583046 11.20716875 1.50517172 0.14826184E-02 0.99000000E+04 0.96227616 11.30687504 1.50518265 0.15585852E-02 0.99500000E+04 0.95841467 11.40497694 1.50510772 0.16858740E-02 0.10000000E+05 0.95423694 11.50145032 1.50497935 0.18613621E-02 0.10050000E+05 0.94973505 11.59627689 1.50487146 0.20784853E-02 0.10100000E+05 0.94490197 11.68944282 1.50484396 0.23280445E-02 0.10150000E+05 0.93973141 11.78093727 1.50489739 0.25992403E-02 0.10200000E+05 0.93421763 11.87075126 1.50497244 0.28808417E-02 0.10250000E+05 0.92835536 11.95887675 1.50499519 0.31623292E-02 0.10300000E+05 0.92213977 12.04530629 1.50493342 0.34348835E-02 0.10350000E+05 0.91556655 12.13003297 1.50482088 0.36921403E-02 0.10400000E+05 0.90863204 12.21305088 1.50473077 0.39305902E-02 0.10450000E+05 0.90133345 12.29435577 1.50471869 0.41495667E-02 0.10500000E+05 0.89366905 12.37394593 1.50477865 0.43508703E-02 0.10550000E+05 0.88563843 12.45182312 1.50484674 0.45381165E-02 0.10600000E+05 0.87724260 12.52799338 1.50485093 0.47159738E-02 0.10650000E+05 0.86848423 12.60246771 1.50476904 0.48894419E-02 0.10700000E+05 0.85936767 12.67526254 1.50464930 0.50632981E-02 0.10750000E+05 0.84989903 12.74640002 1.50457587 0.52418350E-02 0.10800000E+05 0.84008621 12.81590812 1.50460403 0.54288970E-02 0.10850000E+05 0.82993890 12.88382070 1.50471367 0.56281194E-02 0.10900000E+05 0.81946849 12.95017736 1.50481838 0.58432513E-02 0.10950000E+05 0.80868808 13.01502336 1.50482686 0.60783962E-02 0.11000000E+05 0.79761240 13.07840934 1.50471247 0.63380571E-02 0.11050000E+05 0.78625768 13.14039101 1.50453831 0.66269853E-02 0.11100000E+05 0.77464163 13.20102870 1.50441667 0.69499209E-02 0.11150000E+05 0.76278319 13.26038671 1.50442987 0.73113429E-02 0.11200000E+05 0.75070246 13.31853255 1.50456908 0.77152576E-02 0.11250000E+05 0.73842040 13.37553587 1.50473667 0.81650031E-02 0.11300000E+05 0.72595861 13.43146734 1.50481299 0.86631103E-02 0.11350000E+05 0.71333904 13.48639732 1.50474065 0.92112707E-02 0.11400000E+05 0.70058369 13.54039457 1.50456518 0.98103661E-02 0.11450000E+05 0.68771435 13.59352503 1.50440236 0.10460485E-01 0.11500000E+05 0.67475239 13.64585087 1.50435563 0.11160847E-01 0.11550000E+05 0.66171862 13.69742988 1.50444334 0.11909639E-01 0.11600000E+05 0.64863324 13.74831544 1.50458870 0.12703825E-01 0.11650000E+05 0.63551589 13.79855700 1.50467950 0.13539101E-01 0.11700000E+05 0.62238568 13.84820101 1.50465240 0.14410102E-01 0.11750000E+05 0.60926135 13.89729238 1.50453798 0.15310845E-01 0.11800000E+05 0.59616136 13.94587596 1.50443282 0.16235193E-01 0.11850000E+05 0.58310389 13.99399810 1.50442081 0.17177084E-01 0.11900000E+05 0.57010685 14.04170792 1.50450454 0.18130414E-01 0.11950000E+05 0.55718781 14.08905828 1.50460182 0.19088588E-01 0.12000000E+05 0.54436384 14.13610614 1.50461236 0.20043988E-01 0.12050000E+05 0.53165143 14.18291268 1.50450390 0.20987743E-01 0.12100000E+05 0.51906626 14.22954291 1.50434802 0.21910098E-01 0.12150000E+05 0.50662314 14.27606509 1.50427238 0.22801282E-01 0.12200000E+05 0.49433592 14.32255006 1.50436065 0.23652411E-01 0.12250000E+05 0.48221739 14.36907049 1.50457543 0.24455899E-01 0.12300000E+05 0.47027924 14.41570024 1.50476907 0.25205120E-01 0.12350000E+05 0.45853204 14.46251371 1.50478416 0.25893461E-01 0.12400000E+05 0.44698516 14.50958519 1.50457504 0.26513324E-01 0.12450000E+05 0.43564675 14.55698821 1.50425795 0.27055787E-01 0.12500000E+05 0.42452372 14.60479476 1.50404403 0.27511254E-01 0.12550000E+05 0.41362164 14.65307455 1.50409445 0.27870836E-01 0.12600000E+05 0.40294480 14.70189423 1.50439826 0.28127629E-01 0.12650000E+05 0.39249614 14.75131659 1.50476531 0.28277198E-01 0.12700000E+05 0.38227735 14.80139998 1.50494871 0.28317015E-01 0.12750000E+05 0.37228882 14.85219770 1.50481535 0.28245243E-01 0.12800000E+05 0.36252980 14.90375755 1.50444346 0.28059728E-01 0.12850000E+05 0.35299842 14.95612141 1.50407443 0.27758016E-01 0.12900000E+05 0.34369178 15.00932483 1.50394926 0.27338484E-01 0.12950000E+05 0.33460608 15.06339668 1.50414337 0.26801917E-01 0.13000000E+05 0.32573666 15.11835880 1.50451696 0.26152510E-01 0.13050000E+05 0.31707807 15.17422570 1.50481665 0.25397707E-01 0.13100000E+05 0.30862419 15.23100434 1.50485346 0.24547017E-01 0.13150000E+05 0.30036832 15.28869402 1.50462789 0.23610548E-01 0.13200000E+05 0.29230331 15.34728639 1.50431533 0.22598154E-01 0.13250000E+05 0.28442166 15.40676558 1.50412940 0.21519619E-01 0.13300000E+05 0.27671566 15.46710855 1.50416906 0.20385562E-01 0.13350000E+05 0.26917752 15.52828540 1.50436214 0.19208250E-01 0.13400000E+05 0.26179950 15.59025988 1.50454118 0.18001619E-01 0.13450000E+05 0.25457395 15.65298986 1.50458310 0.16780462E-01 0.13500000E+05 0.24749346 15.71642782 1.50449816 0.15559213E-01 0.13550000E+05 0.24055094 15.78052129 1.50440113 0.14350977E-01 0.13600000E+05 0.23373966 15.84521320 1.50439657 0.13167201E-01 0.13650000E+05 0.22705337 15.91044223 1.50448022 0.12017954E-01 0.13700000E+05 0.22048634 15.97614314 1.50454280 0.10912427E-01 0.13750000E+05 0.21403339 16.04224701 1.50447607 0.98591958E-02 0.13800000E+05 0.20768995 16.10868151 1.50428903 0.88660439E-02 0.13850000E+05 0.20145205 16.17537109 1.50412603 0.79394953E-02 0.13900000E+05 0.19531633 16.24223702 1.50415777 0.70843715E-02 0.13950000E+05 0.18928004 16.30919734 1.50442624 0.63036033E-02 0.14000000E+05 0.18334102 16.37616659 1.50477461 0.55983494E-02 0.14050000E+05 0.17749766 16.44305546 1.50493703 0.49683342E-02 0.14100000E+05 0.17174888 16.50977035 1.50473858 0.44122360E-02 0.14150000E+05 0.16609404 16.57621296 1.50425657 0.39279554E-02 0.14200000E+05 0.16053292 16.64227987 1.50380422 0.35126981E-02 0.14250000E+05 0.15506567 16.70786217 1.50372498 0.31629319E-02 0.14300000E+05 0.14969272 16.77284516 1.50413423 0.28743509E-02 0.14350000E+05 0.14441479 16.83710799 1.50480089 0.26419547E-02 0.14400000E+05 0.13923277 16.90052338 1.50527537 0.24602639E-02 0.14450000E+05 0.13414775 16.96295741 1.50519493 0.23236255E-02 0.14500000E+05 0.12916090 17.02426942 1.50455771 0.22264939E-02 0.14550000E+05 0.12427347 17.08431216 1.50375906 0.21635763E-02 0.14600000E+05 0.11948676 17.14293208 1.50334386 0.21298241E-02 0.14650000E+05 0.11480205 17.19996987 1.50363305 0.21203583E-02 0.14700000E+05 0.11022065 17.25526117 1.50448119 0.21304541E-02 0.14750000E+05 0.10574382 17.30863737 1.50534475 0.21556395E-02 0.14800000E+05 0.10137282 17.35992661 1.50563256 0.21918617E-02 0.14850000E+05 0.09710886 17.40895482 1.50511146 0.22356245E-02 0.14900000E+05 0.09295311 17.45554697 1.50408685 0.22840060E-02 0.14950000E+05 0.08890667 17.49952846 1.50322231 0.23345477E-02 0.15000000E+05 0.08497060 17.54072657 1.50310849 0.23851077E-02 0.15050000E+05 0.08114589 17.57897208 1.50386284 0.24337868E-02 0.15100000E+05 0.07743346 17.61410095 1.50502798 0.24789751E-02 0.15150000E+05 0.07383418 17.64595621 1.50584816 0.25194527E-02 0.15200000E+05 0.07034884 17.67438990 1.50575816 0.25544392E-02 0.15250000E+05 0.06697813 17.69926521 1.50476914 0.25835299E-02 0.15300000E+05 0.06372267 17.72045871 1.50348991 0.26065406E-02 0.15350000E+05 0.06058293 17.73786273 1.50275565 0.26233606E-02 0.15400000E+05 0.05755925 17.75138786 1.50308900 0.26339069E-02 0.15450000E+05 0.05465184 17.76096561 1.50433422 0.26381886E-02 0.15500000E+05 0.05186072 17.76655145 1.50571453 0.26364026E-02 0.15550000E+05 0.04918572 17.76812801 1.50630804 0.26289526E-02 0.15600000E+05 0.04662649 17.76570861 1.50565922 0.26163611E-02 0.15650000E+05 0.04418241 17.75934089 1.50412397 0.25991360E-02 0.15700000E+05 0.04185265 17.74911044 1.50269242 0.25776816E-02 0.15750000E+05 0.03963610 17.73514438 1.50236210 0.25523119E-02 0.15800000E+05 0.03753140 17.71761467 1.50344493 0.25233382E-02 0.15850000E+05 0.03553688 17.69674121 1.50528544 0.24911511E-02 0.15900000E+05 0.03365062 17.67279430 1.50663830 0.24562217E-02 0.15950000E+05 0.03187041 17.64609647 1.50650749 0.24190163E-02 0.16000000E+05 0.03019374 17.61702300 1.50488583 0.23799030E-02 0.16050000E+05 0.02861786 17.58600105 1.50284553 0.23391245E-02 0.16100000E+05 0.02713976 17.55350694 1.50184534 0.22968527E-02 0.16150000E+05 0.02575616 17.52006141 1.50268221 0.22532731E-02 0.16200000E+05 0.02446361 17.48622275 1.50484244 0.22086287E-02 0.16250000E+05 0.02325842 17.45257780 1.50679185 0.21631957E-02 0.16300000E+05 0.02213677 17.41973078 1.50706718 0.21172150E-02 0.16350000E+05 0.02109467 17.38829022 1.50539023 0.20708438E-02 0.16400000E+05 0.02012804 17.35885445 1.50294980 0.20241676E-02 0.16450000E+05 0.01923273 17.33199614 1.50157365 0.19772570E-02 0.16500000E+05 0.01840453 17.30824679 1.50234788 0.19302169E-02 0.16550000E+05 0.01763922 17.28808208 1.50473369 0.18831928E-02 0.16600000E+05 0.01693260 17.27190868 1.50692467 0.18363372E-02 0.16650000E+05 0.01628053 17.26005353 1.50722289 0.17897683E-02 0.16700000E+05 0.01567892 17.25275603 1.50537174 0.17435516E-02 0.16750000E+05 0.01512381 17.25016362 1.50278983 0.16977208E-02 0.16800000E+05 0.01461134 17.25233105 1.50149279 0.16523186E-02 0.16850000E+05 0.01413781 17.25922323 1.50250955 0.16074195E-02 0.16900000E+05 0.01369970 17.27072134 1.50504312 0.15631184E-02 0.16950000E+05 0.01329362 17.28663172 1.50708729 0.15194981E-02 0.17000000E+05 0.01291641 17.30669667 1.50702635 0.14766080E-02 0.17050000E+05 0.01256510 17.33060664 1.50492112 0.14344674E-02 0.17100000E+05 0.01223692 17.35801281 1.50245277 0.13930875E-02 0.17150000E+05 0.01192929 17.38853977 1.50158316 0.13524943E-02 0.17200000E+05 0.01163987 17.42179741 1.50299154 0.13127309E-02 0.17250000E+05 0.01136648 17.45739186 1.50553067 0.12738400E-02 0.17300000E+05 0.01110719 17.49493483 1.50715901 0.12358431E-02 0.17350000E+05 0.01086023 17.53405154 1.50659334 0.11987370E-02 0.17400000E+05 0.01062401 17.57438675 1.50432262 0.11625086E-02 0.17450000E+05 0.01039714 17.61560941 1.50218179 0.11271528E-02 0.17500000E+05 0.01017838 17.65741573 1.50186902 0.10926790E-02 0.17550000E+05 0.00996665 17.69953105 1.50359818 0.10591001E-02 0.17600000E+05 0.00976102 17.74171061 1.50594811 0.10264167E-02 0.17650000E+05 0.00956069 17.78373937 1.50702914 0.99461074E-03 0.17700000E+05 0.00936496 17.82543109 1.50601290 0.96365705E-03 0.17750000E+05 0.00917326 17.86662687 1.50376716 0.93353747E-03 0.17800000E+05 0.00898512 17.90719334 1.50211143 0.90424538E-03 0.17850000E+05 0.00880014 17.94702060 1.50234318 0.87577780E-03 0.17900000E+05 0.00861801 17.98602008 1.50422194 0.84812572E-03 0.17950000E+05 0.00843848 18.02412232 1.50619820 0.82127102E-03 0.18000000E+05 0.00826135 18.06127478 1.50668916 0.79519076E-03 0.18050000E+05 0.00808648 18.09743967 1.50535519 0.76986367E-03 0.18100000E+05 0.00791377 18.13259196 1.50332979 0.74527257E-03 0.18150000E+05 0.00774315 18.16671755 1.50225468 0.72140219E-03 0.18200000E+05 0.00757457 18.19981151 1.50295123 0.69823720E-03 0.18250000E+05 0.00740801 18.23187662 1.50479528 0.67576319E-03 0.18300000E+05 0.00724349 18.26292191 1.50626293 0.65396798E-03 0.18350000E+05 0.00708100 18.29296149 1.50618762 0.63283899E-03 0.18400000E+05 0.00692057 18.32201342 1.50469504 0.61235912E-03 0.18450000E+05 0.00676223 18.35009881 1.50304979 0.59250643E-03 0.18500000E+05 0.00660602 18.37724108 1.50258255 0.57325931E-03 0.18550000E+05 0.00645196 18.40346530 1.50361755 0.55460228E-03 0.18600000E+05 0.00630011 18.42879754 1.50525479 0.53652654E-03 0.18650000E+05 0.00615049 18.45326449 1.50614137 0.51902438E-03 0.18700000E+05 0.00600314 18.47689302 1.50558747 0.50208298E-03 0.18750000E+05 0.00585810 18.49970994 1.50410978 0.48568347E-03 0.18800000E+05 0.00571540 18.52174182 1.50295786 0.46980588E-03 0.18850000E+05 0.00557506 18.54301484 1.50305511 0.45443402E-03 0.18900000E+05 0.00543712 18.56355466 1.50426303 0.43955561E-03 0.18950000E+05 0.00530159 18.58338629 1.50554410 0.42515873E-03 0.19000000E+05 0.00516849 18.60253408 1.50584379 0.41122973E-03 0.19050000E+05 0.00503784 18.62102166 1.50495688 0.39775478E-03 0.19100000E+05 0.00490965 18.63887199 1.50367009 0.38472239E-03 0.19150000E+05 0.00478393 18.65610735 1.50306944 0.37212300E-03 0.19200000E+05 0.00466067 18.67274936 1.50361996 0.35994515E-03 0.19250000E+05 0.00453989 18.68881899 1.50481040 0.34817230E-03 0.19300000E+05 0.00442158 18.70433653 1.50562403 0.33678462E-03 0.19350000E+05 0.00430573 18.71932160 1.50540079 0.32576547E-03 0.19400000E+05 0.00419234 18.73379324 1.50437152 0.31510618E-03 0.19450000E+05 0.00408139 18.74776983 1.50343497 0.30480403E-03 0.19500000E+05 0.00397288 18.76126920 1.50337704 0.29485447E-03 0.19550000E+05 0.00386677 18.77430857 1.50420690 0.28524498E-03 0.19600000E+05 0.00376307 18.78690453 1.50518337 0.27595632E-03 0.19650000E+05 0.00366174 18.79907308 1.50547662 0.26697031E-03 0.19700000E+05 0.00356276 18.81082956 1.50487077 0.25827679E-03 0.19750000E+05 0.00346610 18.82218873 1.50392028 0.24987338E-03 0.19800000E+05 0.00337174 18.83316476 1.50344956 0.24175828E-03 0.19850000E+05 0.00327965 18.84377124 1.50383965 0.23392259E-03 0.19900000E+05 0.00318980 18.85402125 1.50471734 0.22634908E-03 0.19950000E+05 0.00310216 18.86392729 1.50530812 0.21901852E-03 0.20000000E+05 0.00301669 18.87350132 1.50512132 0.21191824E-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 -0.016519 0.49469 2 0.1554312 -0.019081 -0.07989 3 0.1597487 -0.009813 -0.63807 4 0.1640662 0.003614 -1.19800 5 0.1683837 0.012010 -1.77455 6 0.1727013 0.010632 -2.36724 7 0.1770188 0.001937 -2.95417 8 0.1813363 -0.006761 2.77354 9 0.1856539 -0.008973 2.25523 10 0.1899714 -0.003769 1.76024 11 0.1942889 0.003980 1.27169 12 0.1986065 0.007858 0.78536 13 0.2029240 0.005103 0.31460 14 0.2072415 -0.001461 -0.12341 15 0.2115591 -0.006116 -0.52501 16 0.2158766 -0.005132 -0.90086 17 0.2201941 0.000265 -1.26506 18 0.2245117 0.005168 -1.62444 19 0.2288292 0.005300 -1.97448 20 0.2331467 0.000711 -2.30553 21 0.2374643 -0.004281 -2.61411 22 0.2417818 -0.004976 -2.90685 23 0.2460993 -0.000743 3.08854 24 0.2504169 0.004175 2.79972 25 0.2547344 0.004730 2.51402 26 0.2590519 0.000362 2.24043 27 0.2633695 -0.004132 1.98139 28 0.2676870 -0.003737 1.72851 29 0.2720045 0.000967 1.47010 30 0.2763221 0.004292 1.20342 31 0.2806396 0.002261 0.93860 32 0.2849571 -0.002396 0.68545 33 0.2892746 -0.003684 0.43822 34 0.2935922 -0.000165 0.17948 35 0.2979097 0.003194 -0.09896 36 0.3022272 0.001881 -0.38145 37 0.3065448 -0.001947 -0.64932 38 0.3108623 -0.002738 -0.91184 39 0.3151798 0.000384 -1.19631 40 0.3194974 0.002550 -1.50527 41 0.3238149 0.000627 -1.80221 42 0.3281324 -0.002147 -2.06979 43 0.3324500 -0.001448 -2.33974 44 0.3367675 0.001356 -2.64104 45 0.3410850 0.001642 -2.94333 46 0.3454026 -0.000887 3.07925 47 0.3497201 -0.001914 2.83835 48 0.3540376 0.000158 2.56919 49 0.3583552 0.001632 2.28124 50 0.3626727 -0.000012 2.03153 51 0.3669902 -0.001802 1.81818 52 0.3713078 -0.000598 1.58722 53 0.3756253 0.001353 1.32634 54 0.3799428 0.000505 1.09301 55 0.3842604 -0.001558 0.90614 56 0.3885779 -0.001015 0.71480 57 0.3928954 0.001140 0.48835 58 0.3972129 0.000886 0.27457 59 0.4015305 -0.001317 0.10967 60 0.4058480 -0.001291 -0.04904 61 0.4101655 0.000974 -0.24611 62 0.4144831 0.001164 -0.44594 63 0.4188006 -0.001159 -0.59800 64 0.4231181 -0.001547 -0.73578 65 0.4274357 0.000810 -0.91518 66 0.4317532 0.001336 -1.11041 67 0.4360707 -0.001082 -1.25797 68 0.4403883 -0.001707 -1.38551 69 0.4447058 0.000800 -1.56018 70 0.4490233 0.001520 -1.75955 71 0.4533409 -0.000999 -1.90672 72 0.4576584 -0.001586 -2.03200 73 0.4619759 0.001208 -2.21484 74 0.4662935 0.001911 -2.42397 75 0.4706110 -0.000756 -2.57025 76 0.4749285 -0.000945 -2.70079 77 0.4792461 0.002268 -2.90272 78 0.4835636 0.002619 -3.11590 79 0.4878811 -0.000196 3.03012 80 0.4921987 0.000554 2.89094 81 0.4965162 0.004312 2.67643 82 0.5008337 0.003980 2.48593 83 0.5051512 0.001397 2.37184 84 0.5094688 0.003993 2.23259 85 0.5137863 0.008393 2.03634 86 0.5181038 0.007241 1.89515 87 0.5224214 0.005991 1.81051 88 0.5267389 0.011686 1.68479 89 0.5310564 0.016667 1.52889 90 0.5353740 0.015053 1.43692 91 0.5396915 0.017164 1.37584 92 0.5440090 0.027155 1.26774 93 0.5483266 0.032313 1.15222 ******************************************************************************** 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 0.1001311E+01 0.1991420E-01 0.2949893E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.4948516E-06 0 21 2 -2 0.5075531E-07 0 26 2 -1 0.1025540E-06 0 32 2 0 0.5306373E-06 0 37 2 1 0.1671761E-05 0 42 2 2 0.9676624E-05 0 13 4 -4 0.1464171E-08 0 17 4 -3 0.2007635E-08 0 22 4 -2 0.1724464E-07 0 27 4 -1 0.3482075E-07 0 33 4 0 0.2100303E-06 0 38 4 1 0.5349741E-06 0 43 4 2 0.2697397E-05 0 47 4 3 0.1317830E-04 0 51 4 4 0.3242543E-04 0 7 6 -6 0.3229413E-11 0 10 6 -5 0.7967211E-11 0 14 6 -4 0.3146893E-10 0 18 6 -3 0.1265632E-09 0 23 6 -2 0.1474181E-08 0 28 6 -1 0.5993480E-08 0 34 6 0 0.6936843E-07 0 39 6 1 0.1610940E-06 0 44 6 2 0.3840573E-05 0 48 6 3 0.6609204E-04 0 52 6 4 0.2454036E-02 0 55 6 5 0.5698005E-01 0 58 6 6 0.9417449E+00 0 3 8 -8 0.9061145E-16 0 5 8 -7 0.1579654E-17 0 8 8 -6 0.1167900E-14 0 11 8 -5 0.1001335E-16 0 15 8 -4 0.1128353E-16 0 19 8 -3 0.4899143E-14 0 24 8 -2 0.8335196E-16 0 29 8 -1 0.5531113E-18 0 35 8 0 0.3551071E-11 0 40 8 1 0.3434521E-17 0 45 8 2 0.4884560E-18 0 49 8 3 0.7901070E-10 0 53 8 4 0.1667541E-16 0 56 8 5 0.4881470E-17 0 59 8 6 0.1513299E-06 0 61 8 7 0.3668106E-17 0 63 8 8 0.3882993E-17 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 0.5269283E-07 1 0.1593015E-07 2 0.4810037E-07 3 0.8847247E-07 4 0.7998450E-07 5 0.9567910E-07 6 0.7355386E-07 7 0.3114840E-07 8 0.9289874E-08 9 0.0000000E+00 v, j, mj = 0 2 -2 0 0.1231165E-15 1 0.1425426E-07 2 0.2718890E-08 3 0.5823791E-08 4 0.3211962E-08 5 0.4642222E-08 6 0.7777482E-08 7 0.8677525E-08 8 0.3649181E-08 9 0.0000000E+00 v, j, mj = 0 2 -1 0 0.5954714E-16 1 0.1892456E-07 2 0.1077801E-07 3 0.2431132E-07 4 0.2206582E-07 5 0.1047254E-07 6 0.4953837E-08 7 0.6686491E-08 8 0.4361433E-08 9 0.0000000E+00 v, j, mj = 0 2 0 0 0.1187333E-08 1 0.3775692E-07 2 0.2208461E-06 3 0.4432474E-07 4 0.5472991E-07 5 0.3418089E-07 6 0.9953221E-07 7 0.2856571E-07 8 0.9513521E-08 9 0.0000000E+00 v, j, mj = 0 2 1 0 0.1994141E-15 1 0.6130865E-07 2 0.9516897E-07 3 0.8146489E-06 4 0.4116297E-06 5 0.1218585E-06 6 0.1336702E-06 7 0.2604155E-07 8 0.7434301E-08 9 0.0000000E+00 v, j, mj = 0 2 2 0 0.1306969E-14 1 0.2620800E-05 2 0.7766889E-06 3 0.1100530E-05 4 0.1942485E-05 5 0.1915210E-05 6 0.1168966E-05 7 0.1409140E-06 8 0.1103065E-07 9 0.0000000E+00 v, j, mj = 0 4 -4 0 0.1954074E-15 1 0.1486287E-10 2 0.3030699E-10 3 0.4107302E-10 4 0.5343692E-10 5 0.8892485E-10 6 0.3914142E-09 7 0.8441524E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.1665332E-10 1 0.1384508E-09 2 0.2122924E-09 3 0.2118676E-09 4 0.1932998E-09 5 0.1608666E-09 6 0.7732319E-09 7 0.3009726E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.5855667E-16 1 0.3942297E-09 2 0.2017514E-08 3 0.1363609E-08 4 0.7880420E-09 5 0.9854049E-09 6 0.4526734E-08 7 0.7169108E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.8944119E-16 1 0.3405343E-08 2 0.2704488E-08 3 0.1152183E-07 4 0.4289538E-08 5 0.1753544E-08 6 0.7045122E-08 7 0.4100889E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.1922899E-08 1 0.7359694E-08 2 0.5075067E-07 3 0.1819541E-07 4 0.2337518E-07 5 0.2209950E-07 6 0.4467762E-07 7 0.4164930E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.3940698E-16 1 0.1666261E-07 2 0.5350228E-07 3 0.1626335E-06 4 0.1958486E-06 5 0.3515604E-07 6 0.5344170E-07 7 0.1772932E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.8643478E-15 1 0.3073530E-06 2 0.7921153E-06 3 0.9422271E-06 4 0.2907715E-06 5 0.1556005E-06 6 0.1736572E-06 7 0.3567259E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.2290912E-06 1 0.1522999E-06 2 0.7028198E-05 3 0.3658890E-05 4 0.1410492E-05 5 0.5151927E-06 6 0.1642002E-06 7 0.1993414E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.2121124E-14 1 0.1233375E-04 2 0.5046178E-05 3 0.7054302E-05 4 0.6780004E-05 5 0.7099820E-06 6 0.2478847E-06 7 0.2533316E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.7384793E-13 1 0.1335242E-12 2 0.1567283E-12 3 0.2357291E-12 4 0.1194931E-11 5 0.1434653E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1891802E-15 1 0.1859222E-13 2 0.2434086E-12 3 0.6557004E-12 4 0.3908605E-11 5 0.3140716E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.7394927E-16 1 0.2242693E-12 2 0.5935487E-12 3 0.1597624E-11 4 0.1618750E-10 5 0.1286592E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.5211307E-13 1 0.4069472E-12 2 0.1977417E-11 3 0.3048376E-11 4 0.4417533E-10 5 0.7690303E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.8346778E-16 1 0.7555276E-11 2 0.1892542E-10 3 0.3596262E-10 4 0.7625813E-09 5 0.6491562E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.9477833E-17 1 0.2839162E-09 2 0.1675964E-09 3 0.1105666E-08 4 0.1007552E-08 5 0.3428749E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1378992E-08 1 0.3521009E-08 2 0.6170852E-08 3 0.8553327E-08 4 0.2386783E-07 5 0.2587643E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1906751E-16 1 0.1487581E-07 2 0.3236466E-07 3 0.2687038E-07 4 0.3830655E-07 5 0.4867658E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.4072094E-16 1 0.6789013E-06 2 0.1604856E-05 3 0.9045065E-06 4 0.3566856E-06 5 0.2956232E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1421403E-06 1 0.5884679E-05 2 0.3784118E-04 3 0.2137250E-04 4 0.7428437E-06 5 0.1086961E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1197662E-16 1 0.1846473E-03 2 0.1725530E-02 3 0.5215297E-03 4 0.2215360E-04 5 0.1758004E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1632597E-16 1 0.1168511E-01 2 0.3734492E-01 3 0.7781147E-02 4 0.1684797E-03 5 0.3942351E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1915829E+00 1 0.2233598E+00 2 0.4681341E+00 3 0.5777954E-01 4 0.8874467E-03 5 0.9826760E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.9061145E-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 -7 0 0.1579654E-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 -6 0 0.1167900E-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 -5 0 0.1001335E-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 0.1128353E-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 -3 0 0.4899143E-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 -2 0 0.8335196E-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 -1 0 0.5531113E-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 0 0 0.3551071E-11 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.3434521E-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 0.4884560E-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 3 0 0.7901070E-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 4 0 0.1667541E-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 0.4881470E-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 6 0 0.1513299E-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 7 0 0.3668106E-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 8 0 0.3882993E-17 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0013109 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294989 average diffraction energy (ev) = 0.019914 the reaction probability = -0.1310898D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.43272747D+01 trans energy = 0.26428571D+00 trans energy in z = 0.26428571D+00 total momentum = 0.84480953D+01 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1004048E+01 0.2993147E-01 0.2949785E+00 1 0.1862559E-07 0.1104906E-01 0.2529726E-02 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.7071181E-06 0 21 2 -2 0.8848940E-07 0 26 2 -1 0.2141236E-06 0 32 2 0 0.7027522E-06 0 37 2 1 0.2539769E-05 0 42 2 2 0.7601185E-05 0 13 4 -4 0.2964153E-08 0 17 4 -3 0.4894068E-08 0 22 4 -2 0.2056042E-07 0 27 4 -1 0.7007186E-07 0 33 4 0 0.3917911E-06 0 38 4 1 0.1795045E-05 0 43 4 2 0.9954963E-05 0 47 4 3 0.4103847E-04 0 51 4 4 0.8644804E-04 0 7 6 -6 0.1922007E-10 0 10 6 -5 0.4930742E-10 0 14 6 -4 0.8177051E-10 0 18 6 -3 0.5660446E-09 0 23 6 -2 0.2372913E-08 0 28 6 -1 0.1966760E-07 0 34 6 0 0.7155162E-07 0 39 6 1 0.4086377E-06 0 44 6 2 0.8725323E-05 0 48 6 3 0.2504046E-03 0 52 6 4 0.6748726E-02 0 55 6 5 0.9116042E-01 0 58 6 6 0.9057134E+00 0 3 8 -8 0.3061247E-13 0 5 8 -7 0.2478555E-12 0 8 8 -6 0.2192878E-12 0 11 8 -5 0.1495369E-12 0 15 8 -4 0.2202685E-12 0 19 8 -3 0.2795063E-11 0 24 8 -2 0.2745059E-10 0 29 8 -1 0.1607385E-09 0 35 8 0 0.8919199E-09 0 40 8 1 0.2432406E-08 0 45 8 2 0.5691217E-08 0 49 8 3 0.3334430E-07 0 53 8 4 0.3744636E-06 0 56 8 5 0.1225333E-05 0 59 8 6 0.3760517E-05 0 61 8 7 0.2964881E-05 0 63 8 8 0.5923416E-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 0.1753701E-07 1 21 2 -2 0.2648358E-13 1 26 2 -1 0.1866736E-11 1 32 2 0 0.9221379E-10 1 37 2 1 0.1155031E-10 1 42 2 2 0.9829216E-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 0.8173105E-07 1 0.1745571E-07 2 0.8001312E-07 3 0.7814101E-07 4 0.1844623E-06 5 0.1276166E-06 6 0.7087190E-07 7 0.5184776E-07 8 0.1351979E-07 9 0.1458806E-08 v, j, mj = 0 2 -2 0 0.3105391E-14 1 0.1526641E-07 2 0.3873081E-08 3 0.1002293E-07 4 0.1557963E-07 5 0.7575676E-08 6 0.1300548E-07 7 0.1425240E-07 8 0.8879622E-08 9 0.3415723E-10 v, j, mj = 0 2 -1 0 0.4564159E-15 1 0.3147668E-07 2 0.3155053E-07 3 0.7689403E-07 4 0.2555130E-07 5 0.2885093E-07 6 0.1060465E-07 7 0.4823908E-08 8 0.4125666E-08 9 0.2458811E-09 v, j, mj = 0 2 0 0 0.7942481E-08 1 0.7713844E-07 2 0.1753598E-06 3 0.6317069E-07 4 0.1606400E-06 5 0.6172620E-07 6 0.7748849E-07 7 0.5295063E-07 8 0.2615825E-07 9 0.1772797E-09 v, j, mj = 0 2 1 0 0.1825410E-14 1 0.1481556E-06 2 0.4732836E-06 3 0.1030713E-05 4 0.4377155E-06 5 0.1659634E-06 6 0.2350111E-06 7 0.3917274E-07 8 0.9239367E-08 9 0.5144531E-09 v, j, mj = 0 2 2 0 0.3851981E-13 1 0.9145443E-06 2 0.1257765E-06 3 0.1000668E-05 4 0.2331027E-05 5 0.2189193E-05 6 0.7414358E-06 7 0.2391353E-06 8 0.5898635E-07 9 0.4192095E-09 v, j, mj = 0 4 -4 0 0.2023205E-14 1 0.9919558E-10 2 0.2123628E-09 3 0.1182210E-09 4 0.2888580E-09 5 0.5379127E-09 6 0.7715106E-09 7 0.8369796E-09 8 0.9911056E-10 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.1863741E-10 1 0.1617956E-09 2 0.2889152E-09 3 0.6334811E-09 4 0.6724376E-09 5 0.7918677E-09 6 0.9996092E-09 7 0.1158232E-08 8 0.1690927E-09 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.1133846E-15 1 0.1746879E-08 2 0.3660207E-08 3 0.1270569E-08 4 0.2521405E-08 5 0.1987017E-08 6 0.4438130E-08 7 0.4032240E-08 8 0.9039690E-09 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.6801184E-15 1 0.2142606E-08 2 0.5927408E-08 3 0.3041282E-07 4 0.8859149E-08 5 0.4758576E-08 6 0.1058085E-07 7 0.6104275E-08 8 0.1286175E-08 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.3850287E-08 1 0.9197666E-08 2 0.1059600E-06 3 0.1213294E-06 4 0.5187586E-07 5 0.5119646E-07 6 0.3008472E-07 7 0.1510516E-07 8 0.3191442E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.2032870E-14 1 0.1538227E-07 2 0.4165167E-06 3 0.6732570E-06 4 0.5130819E-06 5 0.5705917E-07 6 0.8320865E-07 7 0.3334180E-07 8 0.3197982E-08 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.2309729E-13 1 0.2594253E-06 2 0.2960711E-05 3 0.5367288E-05 4 0.9093464E-06 5 0.2633458E-06 6 0.1243410E-06 7 0.6535381E-07 8 0.5151531E-08 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.5548009E-07 1 0.2817765E-05 2 0.1106221E-04 3 0.2095720E-04 4 0.4851929E-05 5 0.9248185E-06 6 0.2566312E-06 7 0.1027080E-06 8 0.9732129E-08 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1122805E-12 1 0.2479758E-04 2 0.2549448E-04 3 0.1118990E-04 4 0.1967410E-04 5 0.4619520E-05 6 0.3781627E-06 7 0.2912406E-06 8 0.3044708E-08 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.7136367E-14 1 0.1315437E-12 2 0.5468390E-12 3 0.8609123E-12 4 0.4000658E-11 5 0.6853594E-11 6 0.6819385E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1825580E-14 1 0.4332042E-12 2 0.1955905E-11 3 0.1478272E-11 4 0.7936756E-11 5 0.3018424E-10 6 0.7317217E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2258933E-16 1 0.1484523E-11 2 0.1071965E-11 3 0.1337733E-11 4 0.7739340E-11 5 0.2910013E-10 6 0.4103680E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.5568633E-12 1 0.3266953E-11 2 0.1141604E-10 3 0.1039826E-10 4 0.1139475E-10 5 0.4085156E-09 6 0.1204962E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.3796796E-16 1 0.6192820E-10 2 0.1916322E-09 3 0.2725210E-09 4 0.3780170E-09 5 0.4410628E-09 6 0.1027752E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1213003E-16 1 0.6079391E-09 2 0.3551227E-09 3 0.4383550E-08 4 0.7507903E-09 5 0.9230372E-08 6 0.4339823E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1381413E-08 1 0.7072188E-08 2 0.5196315E-08 3 0.1513430E-07 4 0.2218821E-07 5 0.7527780E-08 6 0.1305142E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.4926901E-16 1 0.3995467E-07 2 0.4275747E-07 3 0.9157896E-07 4 0.6499598E-07 5 0.1137178E-06 6 0.5563285E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.7923115E-15 1 0.8059843E-06 2 0.2526090E-05 3 0.4700637E-05 4 0.5655439E-06 5 0.7321998E-07 6 0.5384712E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1958190E-06 1 0.2817043E-06 2 0.9780260E-04 3 0.1363682E-03 4 0.1513466E-04 5 0.5377676E-06 6 0.8389202E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2299592E-14 1 0.1078564E-04 2 0.3597094E-02 3 0.2880982E-02 4 0.2579250E-03 5 0.1825360E-05 6 0.1144089E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.6393638E-15 1 0.2474790E-02 2 0.5168286E-01 3 0.3435109E-01 4 0.2631485E-02 5 0.2008248E-04 6 0.1178691E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2239465E+00 1 0.1237861E+00 2 0.3073157E+00 3 0.2360469E+00 4 0.1451948E-01 5 0.9806070E-04 6 0.6395219E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1101316E-14 1 0.4431009E-14 2 0.1345580E-13 3 0.1162435E-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 0.9860235E-17 1 0.7276080E-13 2 0.1519234E-12 3 0.2316145E-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 0.5262332E-13 1 0.1162309E-12 2 0.3622162E-13 3 0.1421198E-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 0.1550171E-15 1 0.8006229E-13 2 0.2718197E-13 3 0.4213763E-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 -4 0 0.7618254E-17 1 0.4065568E-13 2 0.1278702E-12 3 0.5173502E-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 -3 0 0.7754622E-13 1 0.4854902E-12 2 0.1618472E-11 3 0.6135546E-12 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.4601664E-16 1 0.1593079E-11 2 0.2049860E-10 3 0.5358863E-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 -1 0 0.7375482E-17 1 0.2371758E-11 2 0.1298040E-09 3 0.2856274E-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 0 0 0.5132955E-10 1 0.4236467E-10 2 0.6610749E-09 3 0.1371507E-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 1 0 0.3241884E-17 1 0.1428185E-09 2 0.1505012E-08 3 0.7845762E-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 2 0 0.3871962E-17 1 0.2923208E-09 2 0.3184856E-08 3 0.2214040E-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 3 0 0.2562599E-09 1 0.2861057E-08 2 0.2023412E-07 3 0.9992860E-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 4 0 0.1366746E-16 1 0.8336728E-07 2 0.2666249E-06 3 0.2447141E-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 0.4820729E-16 1 0.3735954E-07 2 0.1183124E-05 3 0.4849758E-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 6 0 0.1966658E-05 1 0.1442152E-05 2 0.3462946E-06 3 0.5412369E-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 7 0 0.1036567E-15 1 0.1107447E-06 2 0.2792603E-05 3 0.6153277E-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 0.1584336E-15 1 0.5063014E-05 2 0.7658600E-06 3 0.9454195E-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 0.1357691E-08 1 0.1237574E-07 2 0.3803580E-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 0.7384828E-16 1 0.2640973E-13 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 0.1203405E-18 1 0.1866736E-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 0 0 0.6142079E-10 1 0.3079300E-10 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 0.1023774E-17 1 0.1155031E-10 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 0.4209630E-18 1 0.9829216E-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 = 1.0040481 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294979 average diffraction energy (ev) = 0.029931 the reaction probability = -0.4048105D-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 0.9983100E+00 0.4018736E-01 0.2949227E+00 1 0.1971496E-06 0.1366997E-01 0.3873592E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.9724409E-06 0 21 2 -2 0.1648420E-06 0 26 2 -1 0.4800259E-06 0 32 2 0 0.1032501E-05 0 37 2 1 0.4245469E-05 0 42 2 2 0.1124594E-04 0 13 4 -4 0.4184110E-08 0 17 4 -3 0.7376760E-08 0 22 4 -2 0.3294797E-07 0 27 4 -1 0.1868905E-06 0 33 4 0 0.1223002E-05 0 38 4 1 0.6851515E-05 0 43 4 2 0.3991465E-04 0 47 4 3 0.1228316E-03 0 51 4 4 0.3350251E-03 0 7 6 -6 0.6188799E-10 0 10 6 -5 0.1692345E-09 0 14 6 -4 0.2519430E-09 0 18 6 -3 0.9030152E-09 0 23 6 -2 0.5586505E-08 0 28 6 -1 0.2542012E-07 0 34 6 0 0.1454081E-06 0 39 6 1 0.1173074E-05 0 44 6 2 0.4204152E-04 0 48 6 3 0.1169526E-02 0 52 6 4 0.1941612E-01 0 55 6 5 0.1516200E+00 0 58 6 6 0.8255136E+00 0 3 8 -8 0.1030181E-11 0 5 8 -7 0.3766793E-11 0 8 8 -6 0.1641944E-11 0 11 8 -5 0.1263723E-11 0 15 8 -4 0.5800797E-11 0 19 8 -3 0.2174468E-10 0 24 8 -2 0.1186703E-09 0 29 8 -1 0.5350524E-09 0 35 8 0 0.1651108E-08 0 40 8 1 0.4574025E-08 0 45 8 2 0.1603507E-07 0 49 8 3 0.2334249E-06 0 53 8 4 0.5203178E-06 0 56 8 5 0.7930444E-06 0 59 8 6 0.1314376E-04 0 61 8 7 0.3225033E-05 0 63 8 8 0.5196879E-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 0.2071394E-07 1 21 2 -2 0.1302330E-09 1 26 2 -1 0.3269346E-08 1 32 2 0 0.2793292E-07 1 37 2 1 0.2951507E-08 1 42 2 2 0.1421517E-06 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 0.8346835E-07 1 0.8192241E-08 2 0.9291381E-07 3 0.1687134E-06 4 0.2289636E-06 5 0.2205884E-06 6 0.8775614E-07 7 0.6046646E-07 8 0.1995133E-07 9 0.1427115E-08 v, j, mj = 0 2 -2 0 0.8625703E-14 1 0.4548527E-07 2 0.4646635E-08 3 0.1829408E-07 4 0.4877722E-07 5 0.1035589E-07 6 0.1618197E-07 7 0.1493842E-07 8 0.4036354E-08 9 0.2126194E-08 v, j, mj = 0 2 -1 0 0.4863691E-14 1 0.1438123E-06 2 0.3854109E-07 3 0.1657832E-06 4 0.4810802E-07 5 0.5667711E-07 6 0.1209764E-07 7 0.5732429E-08 8 0.5519291E-08 9 0.3754823E-08 v, j, mj = 0 2 0 0 0.6511921E-07 1 0.1057070E-06 2 0.3081392E-06 3 0.2038720E-06 4 0.1502945E-06 5 0.8270695E-07 6 0.5324515E-07 7 0.4679934E-07 8 0.1265272E-07 9 0.3964809E-08 v, j, mj = 0 2 1 0 0.1140692E-13 1 0.4254230E-06 2 0.9795073E-06 3 0.1819938E-05 4 0.4457526E-06 5 0.2541862E-06 6 0.2039606E-06 7 0.7909050E-07 8 0.3070284E-07 9 0.6907490E-08 v, j, mj = 0 2 2 0 0.3091070E-12 1 0.1118217E-05 2 0.1452536E-05 3 0.4058455E-05 4 0.1861328E-05 5 0.1739658E-05 6 0.8334219E-06 7 0.1085168E-06 8 0.6453710E-07 9 0.9274261E-08 v, j, mj = 0 4 -4 0 0.1417235E-13 1 0.1805130E-09 2 0.1070558E-08 3 0.1580237E-09 4 0.3512556E-09 5 0.8285736E-09 6 0.5403845E-09 7 0.6080652E-09 8 0.4467217E-09 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.8365312E-10 1 0.1234278E-09 2 0.8740994E-09 3 0.1632066E-08 4 0.4219718E-09 5 0.1177985E-08 6 0.1274705E-08 7 0.8977169E-09 8 0.8911354E-09 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.2810628E-15 1 0.1357856E-08 2 0.9189943E-08 3 0.3497485E-08 4 0.5822306E-08 5 0.2960425E-08 6 0.3130998E-08 7 0.3192911E-08 8 0.3796041E-08 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.5334623E-14 1 0.5132148E-08 2 0.5003814E-08 3 0.1242856E-06 4 0.2601205E-07 5 0.6636007E-08 6 0.6902156E-08 7 0.7483503E-08 8 0.5435220E-08 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.9089627E-07 1 0.9454282E-07 2 0.1965038E-06 3 0.5396678E-06 4 0.1797666E-06 5 0.6351201E-07 6 0.3290759E-07 7 0.1479917E-07 8 0.1040566E-07 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.2094519E-13 1 0.2376552E-06 2 0.2099814E-05 3 0.2798680E-05 4 0.1505787E-05 5 0.1156595E-06 6 0.4541400E-07 7 0.2372962E-07 8 0.2477541E-07 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.2401325E-12 1 0.1146144E-06 2 0.1264230E-04 3 0.2111811E-04 4 0.5140252E-05 5 0.6111594E-06 6 0.1889421E-06 7 0.5995787E-07 8 0.3931441E-07 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.3032584E-07 1 0.1422695E-04 2 0.1550520E-04 3 0.5157822E-04 4 0.3547189E-04 5 0.5292100E-05 6 0.5283707E-06 7 0.1345289E-06 8 0.6397151E-07 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1103551E-11 1 0.6897902E-04 2 0.7769049E-04 3 0.2760526E-04 4 0.1143945E-03 5 0.4404796E-04 6 0.2009992E-05 7 0.2559917E-06 8 0.4187549E-07 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.1968112E-11 1 0.1040454E-11 2 0.4447785E-11 3 0.1695975E-11 4 0.5956700E-11 5 0.8325467E-11 6 0.3351996E-10 7 0.4933534E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2028750E-13 1 0.5965849E-12 2 0.2234123E-11 3 0.6337638E-11 4 0.1260269E-10 5 0.3491483E-10 6 0.1112727E-09 7 0.1255631E-11 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.4337139E-15 1 0.9765460E-11 2 0.6768574E-11 3 0.6712782E-11 4 0.2863604E-10 5 0.3821734E-10 6 0.1477768E-09 7 0.1406549E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.4107974E-11 1 0.8207056E-11 2 0.8342204E-10 3 0.2909328E-10 4 0.6755692E-10 5 0.1690413E-09 6 0.4560219E-09 7 0.8556466E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.9388242E-16 1 0.9688159E-10 2 0.3045250E-09 3 0.5358891E-09 4 0.7829951E-09 5 0.8476672E-09 6 0.2645309E-08 7 0.3732382E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.4615453E-15 1 0.2967581E-08 2 0.4736038E-09 3 0.6410006E-08 4 0.2981117E-08 5 0.4430219E-08 6 0.7111773E-08 7 0.1045823E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.8927765E-08 1 0.2145980E-07 2 0.1229600E-07 3 0.1676772E-07 4 0.3022821E-07 5 0.1532735E-07 6 0.3802803E-07 7 0.2373191E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1068559E-14 1 0.7129688E-07 2 0.1309184E-06 3 0.5765357E-06 4 0.3015676E-06 5 0.3639987E-07 6 0.5294607E-07 7 0.3409318E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2094580E-13 1 0.5724039E-06 2 0.8151605E-05 3 0.2603674E-04 4 0.6590122E-05 5 0.4997967E-06 6 0.1864093E-06 7 0.4443295E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.6604703E-07 1 0.7217955E-05 2 0.3226857E-03 3 0.6870902E-03 4 0.1477794E-03 5 0.4480614E-05 6 0.1991452E-06 7 0.7073078E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.7496175E-13 1 0.2011933E-03 2 0.6650940E-02 3 0.1055880E-01 4 0.1954047E-02 5 0.5075757E-04 6 0.3706987E-06 7 0.8087421E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.8910768E-14 1 0.1443325E-02 2 0.5322496E-01 3 0.8132953E-01 4 0.1520230E-01 5 0.4187599E-03 6 0.1167728E-05 7 0.4236633E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2999134E-01 1 0.3846250E+00 2 0.4382427E-01 3 0.2932241E+00 4 0.7203783E-01 5 0.1806319E-02 6 0.4700158E-05 7 0.6372178E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.7907218E-15 1 0.8106416E-14 2 0.1142844E-12 3 0.7422179E-12 4 0.1647812E-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 0.2875464E-16 1 0.9902143E-13 2 0.3880425E-12 3 0.2879645E-11 4 0.4000552E-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 0.2827907E-13 1 0.7053676E-13 2 0.2338976E-12 3 0.8358097E-12 4 0.4734210E-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 0.4900038E-16 1 0.1439097E-13 2 0.1247146E-12 3 0.3686712E-12 4 0.7558974E-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 -4 0 0.9743415E-16 1 0.5446898E-13 2 0.1126171E-12 3 0.1885727E-11 4 0.3747887E-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 0.1193518E-13 1 0.8210643E-12 2 0.2185071E-11 3 0.6907349E-11 4 0.1181926E-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 0.1610659E-16 1 0.3525412E-11 2 0.9571932E-11 3 0.6074942E-10 4 0.4482351E-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 -1 0 0.1484458E-16 1 0.5834732E-11 2 0.7475455E-10 3 0.2572293E-09 4 0.1972338E-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 0.1042386E-09 1 0.7714276E-10 2 0.5697613E-09 3 0.5175621E-09 4 0.3824036E-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 0.2791976E-17 1 0.7167008E-10 2 0.5764428E-09 3 0.2227092E-08 4 0.1698820E-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 2 0 0.5018987E-16 1 0.1593517E-08 2 0.2934724E-08 3 0.6124901E-08 4 0.5381928E-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 3 0 0.2558331E-09 1 0.1114248E-08 2 0.5360902E-07 3 0.1465285E-06 4 0.3191733E-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 0.9102419E-17 1 0.2985336E-07 2 0.2256357E-06 3 0.1929871E-06 4 0.7184158E-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 0.1039751E-16 1 0.5185767E-06 2 0.7478018E-07 3 0.1226095E-06 4 0.7707803E-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 0.1955138E-05 1 0.8061204E-05 2 0.2599957E-05 3 0.4714122E-06 4 0.5605175E-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 0.7253552E-16 1 0.5070883E-06 2 0.1853241E-05 3 0.8077701E-06 4 0.5693343E-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 0.1171355E-15 1 0.8217588E-06 2 0.3559332E-05 3 0.6642469E-06 4 0.1515408E-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 0.1105063E-08 1 0.2102340E-08 2 0.1441936E-07 3 0.2984405E-08 4 0.1027792E-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 0.1053982E-15 1 0.3314951E-10 2 0.8889829E-10 3 0.8185067E-11 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.8796006E-17 1 0.1106552E-08 2 0.2043086E-08 3 0.1197078E-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 0.1511370E-08 1 0.1810731E-07 2 0.8264245E-08 3 0.4999538E-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 0.7485016E-18 1 0.6094241E-09 2 0.2006868E-08 3 0.3352148E-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 0.3127030E-16 1 0.1237084E-06 2 0.1793740E-07 3 0.5058580E-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 = 0.9983102 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294923 average diffraction energy (ev) = 0.040187 the reaction probability = 0.1689794D-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 0.9992249E+00 0.4880763E-01 0.2947111E+00 1 0.3362848E-06 0.2378303E-01 0.4878039E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.4933023E-05 0 21 2 -2 0.1371484E-05 0 26 2 -1 0.1660488E-05 0 32 2 0 0.4979728E-05 0 37 2 1 0.1439509E-04 0 42 2 2 0.5152787E-04 0 13 4 -4 0.2592346E-07 0 17 4 -3 0.2652336E-07 0 22 4 -2 0.1769723E-06 0 27 4 -1 0.9288738E-06 0 33 4 0 0.5380312E-05 0 38 4 1 0.3151360E-04 0 43 4 2 0.1409033E-03 0 47 4 3 0.4249023E-03 0 51 4 4 0.1271554E-02 0 7 6 -6 0.2162631E-09 0 10 6 -5 0.1673108E-09 0 14 6 -4 0.5783756E-09 0 18 6 -3 0.1859665E-08 0 23 6 -2 0.1620994E-07 0 28 6 -1 0.1125388E-06 0 34 6 0 0.5245412E-06 0 39 6 1 0.9798942E-05 0 44 6 2 0.2697450E-03 0 48 6 3 0.4684585E-02 0 52 6 4 0.4397026E-01 0 55 6 5 0.2247240E+00 0 58 6 6 0.7235263E+00 0 3 8 -8 0.2677940E-11 0 5 8 -7 0.1099431E-10 0 8 8 -6 0.6432781E-11 0 11 8 -5 0.1064925E-10 0 15 8 -4 0.2644571E-10 0 19 8 -3 0.9920341E-10 0 24 8 -2 0.6291533E-09 0 29 8 -1 0.2178538E-08 0 35 8 0 0.8985325E-08 0 40 8 1 0.2192653E-07 0 45 8 2 0.9386639E-07 0 49 8 3 0.6337870E-06 0 53 8 4 0.1400121E-05 0 56 8 5 0.1356090E-04 0 59 8 6 0.4747567E-04 0 61 8 7 0.7800365E-05 0 63 8 8 0.1433031E-04 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 0.5198385E-07 1 21 2 -2 0.9793233E-09 1 26 2 -1 0.4812310E-08 1 32 2 0 0.4032920E-07 1 37 2 1 0.1462510E-07 1 42 2 2 0.1823569E-06 1 13 4 -4 0.7637350E-12 1 17 4 -3 0.1975554E-11 1 22 4 -2 0.1547786E-10 1 27 4 -1 0.1399740E-09 1 33 4 0 0.1262591E-08 1 38 4 1 0.1142444E-08 1 43 4 2 0.8447817E-08 1 47 4 3 0.1261580E-07 1 51 4 4 0.1757129E-07 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 0.1518296E-06 1 0.4804357E-06 2 0.7333255E-06 3 0.1349650E-05 4 0.1606018E-05 5 0.3295998E-06 6 0.1869006E-06 7 0.8483941E-07 8 0.8513285E-08 9 0.1911259E-08 v, j, mj = 0 2 -2 0 0.2973093E-13 1 0.5542139E-06 2 0.2233899E-06 3 0.3535387E-06 4 0.1589226E-06 5 0.3236637E-07 6 0.2677220E-07 7 0.1299880E-07 8 0.6115266E-08 9 0.3166355E-08 v, j, mj = 0 2 -1 0 0.1935137E-13 1 0.5057215E-06 2 0.1090807E-06 3 0.6721424E-06 4 0.1541937E-06 5 0.1690090E-06 6 0.3268928E-07 7 0.8664892E-08 8 0.5238137E-08 9 0.3748477E-08 v, j, mj = 0 2 0 0 0.7166669E-06 1 0.3302452E-06 2 0.1960437E-05 3 0.8571769E-06 4 0.7099056E-06 5 0.2777740E-06 6 0.7217775E-07 7 0.2942554E-07 8 0.2120223E-07 9 0.4716740E-08 v, j, mj = 0 2 1 0 0.5439607E-13 1 0.6287844E-06 2 0.3754415E-05 3 0.4237577E-05 4 0.4032047E-05 5 0.1278969E-05 6 0.3777849E-06 7 0.5233450E-07 8 0.2747075E-07 9 0.5710265E-08 v, j, mj = 0 2 2 0 0.1654492E-11 1 0.4229595E-05 2 0.6994365E-05 3 0.1754430E-04 4 0.1116569E-04 5 0.7536150E-05 6 0.3517512E-05 7 0.4668022E-06 8 0.6434495E-07 9 0.9107547E-08 v, j, mj = 0 4 -4 0 0.4045259E-13 1 0.6251029E-08 2 0.7817547E-08 3 0.2398285E-08 4 0.3650486E-08 5 0.2660996E-08 6 0.1279388E-08 7 0.9892459E-09 8 0.6978435E-09 9 0.1786019E-09 v, j, mj = 0 4 -3 0 0.1575485E-09 1 0.5723408E-08 2 0.5712435E-08 3 0.5823843E-08 4 0.2826771E-08 5 0.2256080E-08 6 0.1332554E-08 7 0.1157099E-08 8 0.1196826E-08 9 0.3367956E-09 v, j, mj = 0 4 -2 0 0.2702491E-14 1 0.2992469E-07 2 0.4665980E-07 3 0.5801257E-07 4 0.2793168E-07 5 0.2557254E-08 6 0.2269751E-08 7 0.2686815E-08 8 0.5872782E-08 9 0.1056903E-08 v, j, mj = 0 4 -1 0 0.2895966E-13 1 0.1210606E-06 2 0.3503602E-07 3 0.5885169E-06 4 0.1438784E-06 5 0.1928722E-07 6 0.8589078E-08 7 0.4060979E-08 8 0.7917634E-08 9 0.5269573E-09 v, j, mj = 0 4 0 0 0.2818381E-06 1 0.1817290E-06 2 0.1205913E-05 3 0.3032600E-05 4 0.5608949E-06 5 0.8104981E-07 6 0.1333212E-07 7 0.8680927E-08 8 0.1232877E-07 9 0.1944935E-08 v, j, mj = 0 4 1 0 0.1237069E-12 1 0.7241567E-06 2 0.1227596E-04 3 0.1405530E-04 4 0.4043618E-05 5 0.2652989E-06 6 0.8752059E-07 7 0.3624182E-07 8 0.2408017E-07 9 0.1427443E-08 v, j, mj = 0 4 2 0 0.1786185E-11 1 0.1979853E-05 2 0.4545040E-04 3 0.5949640E-04 4 0.2949226E-04 5 0.3962725E-05 6 0.4087080E-06 7 0.6582946E-07 8 0.4171000E-07 9 0.5431687E-08 v, j, mj = 0 4 3 0 0.2942649E-06 1 0.4804091E-04 2 0.3249637E-04 3 0.1027736E-03 4 0.1839429E-03 5 0.5292966E-04 6 0.4096353E-05 7 0.2176564E-06 8 0.1055090E-06 9 0.4997960E-08 v, j, mj = 0 4 4 0 0.7740132E-11 1 0.2611620E-03 2 0.1646402E-03 3 0.1051587E-03 4 0.3770912E-03 5 0.3343271E-03 6 0.2855003E-04 7 0.5135033E-06 8 0.1082233E-06 9 0.2965378E-08 v, j, mj = 0 6 -6 0 0.9005354E-11 1 0.1821213E-11 2 0.4682322E-10 3 0.3269033E-10 4 0.2583113E-10 5 0.2596448E-10 6 0.3592001E-10 7 0.3820741E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1310583E-12 1 0.5130846E-11 2 0.1277771E-10 3 0.3902509E-10 4 0.1845717E-10 5 0.1194655E-10 6 0.3699523E-10 7 0.4284717E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.1844223E-14 1 0.1800185E-10 2 0.1248375E-10 3 0.2112569E-10 4 0.3892380E-10 5 0.4896366E-10 6 0.1522422E-09 7 0.2866328E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2920645E-10 1 0.1034537E-09 2 0.2089351E-09 3 0.1316555E-09 4 0.1835410E-09 5 0.1959021E-09 6 0.5175190E-09 7 0.4894521E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.7990124E-15 1 0.1814727E-08 2 0.4320779E-08 3 0.2066248E-08 4 0.2144430E-08 5 0.1492198E-08 6 0.1575169E-08 7 0.2796387E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.3271410E-14 1 0.5616851E-07 2 0.1449248E-07 3 0.1604387E-07 4 0.1063613E-07 5 0.2686458E-08 6 0.5432565E-08 7 0.7078813E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.3276879E-07 1 0.9379877E-07 2 0.6488017E-07 3 0.1550032E-06 4 0.1264235E-06 5 0.1536472E-07 6 0.1605105E-07 7 0.2025100E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.1061979E-13 1 0.1775385E-06 2 0.1376483E-05 3 0.5743836E-05 4 0.2273688E-05 5 0.1600800E-06 6 0.2798534E-07 7 0.3933103E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2740675E-12 1 0.1809907E-05 2 0.6361674E-04 3 0.1513792E-03 4 0.4935109E-04 5 0.3454661E-05 6 0.8476711E-07 7 0.4857183E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.9192265E-09 1 0.6125990E-04 2 0.1277155E-02 3 0.2495538E-02 4 0.8023405E-03 5 0.4769547E-04 6 0.5270525E-06 7 0.6773206E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.8860369E-12 1 0.4344355E-03 2 0.1062440E-01 3 0.2437087E-01 4 0.8053782E-02 5 0.4815809E-03 6 0.5112148E-05 7 0.8474158E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.4475317E-13 1 0.1588730E-01 2 0.3144286E-01 3 0.1295472E+00 4 0.4495932E-01 5 0.2857639E-02 6 0.2953022E-04 7 0.8641174E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1603401E-01 1 0.2813815E+00 2 0.1509884E+00 3 0.1291946E+00 4 0.1349644E+00 5 0.1086973E-01 6 0.9328039E-04 7 0.2547607E-06 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3383469E-15 1 0.1414117E-12 2 0.1984612E-12 3 0.7766969E-12 4 0.1225221E-11 5 0.3358107E-12 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.8926740E-16 1 0.1201975E-12 2 0.6842910E-12 3 0.2104239E-11 4 0.6468973E-11 5 0.1616517E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.6196976E-13 1 0.2350493E-12 2 0.1032523E-11 3 0.1037290E-11 4 0.2834064E-11 5 0.1231885E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1507886E-15 1 0.2309547E-12 2 0.1868619E-12 3 0.1012114E-11 4 0.5962299E-11 5 0.3256864E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.9439192E-17 1 0.2104761E-12 2 0.1038264E-11 3 0.2600186E-11 4 0.8679331E-11 5 0.1391745E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.3699652E-13 1 0.3491859E-12 2 0.1978474E-11 3 0.6187594E-11 4 0.3161856E-10 5 0.5903259E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.6440334E-17 1 0.3205892E-11 2 0.8634916E-11 3 0.1165083E-09 4 0.1108971E-09 5 0.3899070E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1259934E-16 1 0.4999608E-11 2 0.1040014E-09 3 0.5085995E-09 4 0.7551546E-09 5 0.8057828E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.8533975E-11 1 0.1579809E-09 2 0.6711890E-09 3 0.8557729E-09 4 0.4268003E-08 5 0.3023845E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1300814E-16 1 0.6381766E-09 2 0.9866185E-09 3 0.2208291E-08 4 0.1242702E-07 5 0.5666427E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1060812E-15 1 0.3365786E-08 2 0.1541647E-07 3 0.3025134E-07 4 0.3226671E-07 5 0.1256608E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2827696E-08 1 0.1086579E-07 2 0.2570582E-06 3 0.2485759E-06 4 0.8875813E-07 5 0.2570119E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.5631928E-15 1 0.1002615E-06 2 0.6314646E-06 3 0.4624182E-06 4 0.1552856E-06 5 0.5069094E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1978450E-16 1 0.8070203E-05 2 0.4076178E-05 3 0.1178059E-05 4 0.2024781E-06 5 0.3398429E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.6126594E-05 1 0.1884768E-04 2 0.2011283E-04 3 0.2068294E-05 4 0.2570896E-06 5 0.6319074E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.1100850E-15 1 0.6363016E-05 2 0.5730869E-06 3 0.3902076E-06 4 0.4378760E-06 5 0.3617817E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.3378967E-14 1 0.9176167E-05 2 0.3664416E-05 3 0.5594419E-06 4 0.8418331E-06 5 0.8844936E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.9426533E-08 1 0.1976325E-07 2 0.8139352E-08 3 0.1216653E-07 4 0.2351469E-08 5 0.1367193E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.3202315E-15 1 0.7536286E-10 2 0.1648987E-09 3 0.4851927E-09 4 0.2538686E-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 0.2331022E-17 1 0.5156176E-10 2 0.1108766E-08 3 0.2724369E-08 4 0.9276137E-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 0.7396341E-09 1 0.2189721E-07 2 0.1140279E-07 3 0.4790503E-08 4 0.1499056E-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 0.2543084E-16 1 0.4792371E-08 2 0.1735657E-08 3 0.6489319E-08 4 0.1607754E-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 0.2192406E-15 1 0.7800189E-07 2 0.8337775E-07 3 0.1954045E-07 4 0.1436838E-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 0.1543116E-16 1 0.3484515E-12 2 0.4152681E-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 0.4164191E-12 1 0.6107640E-12 2 0.9483709E-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 0.2379240E-16 1 0.1436279E-10 2 0.1115041E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -1 0 0.1636818E-17 1 0.1383427E-09 2 0.1631356E-11 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.8218307E-09 1 0.3826168E-09 2 0.5814357E-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 0.1071182E-16 1 0.9026492E-09 2 0.2397946E-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 0.1287081E-16 1 0.8277986E-08 2 0.1698312E-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 0.2998388E-08 1 0.9536213E-08 2 0.8119400E-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 4 0 0.7005664E-16 1 0.1722013E-07 2 0.3511570E-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 = 0.9992252 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294711 average diffraction energy (ev) = 0.048808 the reaction probability = 0.7747658D-03 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41558461D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1000882E+01 0.5361156E-01 0.2939734E+00 1 0.8117669E-06 0.2699361E-01 0.5079569E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.5058672E-04 0 21 2 -2 0.3121985E-04 0 26 2 -1 0.9462720E-05 0 32 2 0 0.3057144E-04 0 37 2 1 0.1089247E-03 0 42 2 2 0.3269866E-03 0 13 4 -4 0.2041381E-05 0 17 4 -3 0.2790045E-06 0 22 4 -2 0.2161097E-05 0 27 4 -1 0.5117771E-05 0 33 4 0 0.2489774E-04 0 38 4 1 0.1349064E-03 0 43 4 2 0.5384067E-03 0 47 4 3 0.1544831E-02 0 51 4 4 0.3915442E-02 0 7 6 -6 0.2354942E-08 0 10 6 -5 0.2062999E-08 0 14 6 -4 0.4099475E-08 0 18 6 -3 0.9338109E-08 0 23 6 -2 0.7865125E-07 0 28 6 -1 0.4920103E-06 0 34 6 0 0.3780227E-05 0 39 6 1 0.7947153E-04 0 44 6 2 0.1389577E-02 0 48 6 3 0.1502888E-01 0 52 6 4 0.8387455E-01 0 55 6 5 0.2713565E+00 0 58 6 6 0.6221518E+00 0 3 8 -8 0.6588771E-11 0 5 8 -7 0.1822025E-10 0 8 8 -6 0.2136911E-10 0 11 8 -5 0.2581023E-10 0 15 8 -4 0.4353174E-10 0 19 8 -3 0.2128670E-09 0 24 8 -2 0.1267133E-08 0 29 8 -1 0.4243493E-08 0 35 8 0 0.1884887E-07 0 40 8 1 0.7132295E-07 0 45 8 2 0.7003776E-06 0 49 8 3 0.3467346E-05 0 53 8 4 0.5777008E-05 0 56 8 5 0.9974373E-04 0 59 8 6 0.1078088E-03 0 61 8 7 0.4083743E-04 0 63 8 8 0.1255747E-04 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 0.3320506E-06 1 21 2 -2 0.3411396E-08 1 26 2 -1 0.6753236E-08 1 32 2 0 0.7859501E-07 1 37 2 1 0.2882658E-07 1 42 2 2 0.1563632E-06 1 13 4 -4 0.5196334E-10 1 17 4 -3 0.7217590E-10 1 22 4 -2 0.5780023E-09 1 27 4 -1 0.2020936E-08 1 33 4 0 0.5427249E-08 1 38 4 1 0.2611230E-08 1 43 4 2 0.1450058E-07 1 47 4 3 0.3691050E-07 1 51 4 4 0.1435943E-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 0.2502021E-06 1 0.2550784E-05 2 0.6525896E-05 3 0.1150732E-04 4 0.1659746E-04 5 0.9188318E-05 6 0.3632693E-05 7 0.3118990E-06 8 0.1616824E-07 9 0.5980311E-08 v, j, mj = 0 2 -2 0 0.1873237E-12 1 0.7428102E-05 2 0.7327892E-05 3 0.9009851E-05 4 0.4526235E-05 5 0.2373597E-05 6 0.5154756E-06 7 0.2744123E-07 8 0.8469886E-08 9 0.2784864E-08 v, j, mj = 0 2 -1 0 0.8816966E-13 1 0.1539350E-05 2 0.1533448E-05 3 0.3778249E-05 4 0.1559406E-05 5 0.7718014E-06 6 0.2513676E-06 7 0.2182880E-07 8 0.3964531E-08 9 0.3304764E-08 v, j, mj = 0 2 0 0 0.4240282E-05 1 0.1871045E-05 2 0.1177652E-04 3 0.3978230E-05 4 0.5986634E-05 5 0.1637469E-05 6 0.9530846E-06 7 0.1092561E-06 8 0.1547598E-07 9 0.3444564E-08 v, j, mj = 0 2 1 0 0.1997069E-12 1 0.6590170E-06 2 0.1495516E-04 3 0.2893332E-04 4 0.3676004E-04 5 0.2100557E-04 6 0.6158912E-05 7 0.4274706E-06 8 0.2026598E-07 9 0.4975024E-08 v, j, mj = 0 2 2 0 0.5931140E-11 1 0.1923827E-04 2 0.3002760E-04 3 0.6293327E-04 4 0.9240161E-04 5 0.6875996E-04 6 0.4587585E-04 7 0.7559879E-05 8 0.1832644E-06 9 0.6873188E-08 v, j, mj = 0 4 -4 0 0.8783350E-13 1 0.6544629E-06 2 0.6295718E-06 3 0.4565217E-06 4 0.2087440E-06 5 0.7896161E-07 6 0.1064265E-07 7 0.1099752E-08 8 0.7062697E-09 9 0.6707010E-09 v, j, mj = 0 4 -3 0 0.1953943E-08 1 0.5559985E-07 2 0.6481284E-07 3 0.5099917E-07 4 0.6992539E-07 5 0.2679487E-07 6 0.4455231E-08 7 0.1127189E-08 8 0.1946067E-08 9 0.1389959E-08 v, j, mj = 0 4 -2 0 0.2166497E-13 1 0.9524897E-06 2 0.2037219E-06 3 0.6657473E-06 4 0.2506397E-06 5 0.6263445E-07 6 0.1735013E-07 7 0.4026180E-08 8 0.3070818E-08 9 0.1417014E-08 v, j, mj = 0 4 -1 0 0.1455294E-12 1 0.5890535E-06 2 0.5694602E-06 3 0.3332912E-05 4 0.5661818E-06 5 0.3670257E-07 6 0.1131060E-07 7 0.2609282E-08 8 0.5355668E-08 9 0.4184883E-08 v, j, mj = 0 4 0 0 0.4028362E-07 1 0.2347789E-06 2 0.9053566E-05 3 0.1470385E-04 4 0.7554518E-06 5 0.5499774E-07 6 0.2632642E-07 7 0.1780541E-07 8 0.7738121E-08 9 0.2935346E-08 v, j, mj = 0 4 1 0 0.5696298E-12 1 0.3283305E-06 2 0.7414106E-04 3 0.4898806E-04 4 0.1010040E-04 5 0.9994126E-06 6 0.2849513E-06 7 0.4004124E-07 8 0.1595192E-07 9 0.8229462E-08 v, j, mj = 0 4 2 0 0.8660907E-11 1 0.3169280E-04 2 0.1709816E-03 3 0.1693546E-03 4 0.1229682E-03 5 0.3997311E-04 6 0.3309570E-05 7 0.7268446E-07 8 0.3629193E-07 9 0.1791546E-07 v, j, mj = 0 4 3 0 0.9062554E-06 1 0.9402198E-04 2 0.7292051E-04 3 0.2250760E-03 4 0.6987834E-03 5 0.4073268E-03 6 0.4454481E-04 7 0.1111077E-05 8 0.1228504E-06 9 0.1745409E-07 v, j, mj = 0 4 4 0 0.3891177E-10 1 0.6620314E-03 2 0.3534690E-03 3 0.3561908E-03 4 0.7597113E-03 5 0.1476219E-02 6 0.2995580E-03 7 0.8148870E-05 8 0.1055183E-06 9 0.7711676E-08 v, j, mj = 0 6 -6 0 0.6216882E-10 1 0.3058301E-09 2 0.7169636E-09 3 0.4247330E-09 4 0.4269339E-09 5 0.1538047E-09 6 0.7991258E-10 7 0.4131248E-10 8 0.1432830E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.5233955E-12 1 0.7175178E-10 2 0.3913523E-09 3 0.7916607E-09 4 0.5119085E-09 5 0.8950077E-10 6 0.6799228E-10 7 0.1109027E-09 8 0.2740704E-10 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.3091558E-14 1 0.1340049E-08 2 0.1333006E-08 3 0.2428996E-09 4 0.1881677E-09 5 0.3118712E-09 6 0.1252375E-09 7 0.3888276E-09 8 0.1694127E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.5148301E-10 1 0.1427137E-08 2 0.2814654E-08 3 0.1145764E-08 4 0.8558028E-09 5 0.5741069E-09 6 0.6650048E-09 7 0.9328370E-09 8 0.8713189E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1690334E-13 1 0.1862737E-07 2 0.3283705E-07 3 0.1308222E-07 4 0.6693750E-08 5 0.1582297E-08 6 0.1805092E-08 7 0.2857369E-08 8 0.1166086E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.2069571E-13 1 0.1803939E-06 2 0.9654318E-07 3 0.1248037E-06 4 0.5989279E-07 5 0.5088671E-08 6 0.4372086E-08 7 0.1273061E-07 8 0.8185311E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.2055946E-07 1 0.1175739E-06 2 0.5327812E-06 3 0.2153116E-05 4 0.8666260E-06 5 0.5428399E-07 6 0.1337565E-07 7 0.1538618E-07 8 0.6524843E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.7592036E-13 1 0.1222632E-05 2 0.1583230E-04 3 0.4595159E-04 4 0.1513116E-04 5 0.1167079E-05 6 0.6071493E-07 7 0.9754016E-07 8 0.8519073E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.2154324E-11 1 0.1186206E-04 2 0.4059987E-03 3 0.7084396E-03 4 0.2428301E-03 5 0.1985691E-04 6 0.4424583E-06 7 0.1430752E-06 8 0.4175153E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1870011E-06 1 0.2735944E-03 2 0.4366022E-02 3 0.7458430E-02 4 0.2673123E-02 5 0.2522832E-03 6 0.5017935E-05 7 0.2103313E-06 8 0.1053447E-07 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.6501912E-11 1 0.5456919E-03 2 0.1983660E-01 3 0.4271169E-01 4 0.1868136E-01 5 0.2051477E-02 6 0.4757689E-04 7 0.1586664E-06 8 0.2813642E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1051916E-12 1 0.2981651E-01 2 0.2197663E-01 3 0.1295627E+00 4 0.8049932E-01 5 0.9281739E-02 6 0.2188422E-03 7 0.8050387E-06 8 0.3215017E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1645221E-01 1 0.2345831E+00 2 0.1928981E+00 3 0.3236816E-01 4 0.1179455E+00 5 0.2719050E-01 6 0.7111655E-03 7 0.3012601E-05 8 0.1966539E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.4637283E-14 1 0.1003506E-11 2 0.3523697E-12 3 0.3379548E-12 4 0.1800933E-11 5 0.2151648E-11 6 0.9377228E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.9412561E-14 1 0.5810910E-13 2 0.2540658E-11 3 0.3835299E-11 4 0.5817088E-11 5 0.5447643E-11 6 0.5120411E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.5929466E-13 1 0.2162469E-12 2 0.1573795E-12 3 0.4992009E-11 4 0.5690778E-11 5 0.9390826E-11 6 0.8625730E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1826872E-14 1 0.4442983E-12 2 0.2477035E-11 3 0.2963495E-11 4 0.3729066E-11 5 0.1560761E-10 6 0.5868989E-12 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.4818818E-17 1 0.8158296E-12 2 0.2373739E-11 3 0.2785598E-11 4 0.1373135E-10 5 0.2158272E-10 6 0.2242503E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.3413440E-12 1 0.4503487E-12 2 0.5092403E-11 3 0.2734700E-10 4 0.6257283E-10 5 0.9838351E-10 6 0.1867959E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.3468832E-16 1 0.7914406E-11 2 0.9022812E-10 3 0.3707740E-09 4 0.1587468E-09 5 0.6101639E-09 6 0.2930574E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.2523330E-16 1 0.8261657E-10 2 0.4120272E-09 3 0.1007157E-08 4 0.1041511E-08 5 0.1404972E-08 6 0.2952097E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.4130923E-10 1 0.2751606E-09 2 0.9210472E-09 3 0.2155278E-08 4 0.2372060E-08 5 0.1280004E-07 6 0.2839715E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.7160858E-16 1 0.2847093E-08 2 0.1231785E-07 3 0.2378668E-07 4 0.1744770E-07 5 0.1191054E-07 6 0.3013082E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2985779E-14 1 0.1535599E-07 2 0.2272038E-06 3 0.3207600E-06 4 0.7996536E-07 5 0.5383355E-07 6 0.3258854E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.8515708E-08 1 0.6301925E-07 2 0.1449248E-05 3 0.1600502E-05 4 0.2827215E-06 5 0.5578358E-07 6 0.7555942E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.5299989E-14 1 0.3836693E-06 2 0.1288562E-05 3 0.3145555E-05 4 0.8537344E-06 5 0.9335896E-07 6 0.1212852E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.6770292E-15 1 0.4171442E-04 2 0.4908373E-04 3 0.7443875E-05 4 0.1408116E-05 5 0.7868298E-07 6 0.1491445E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.3412668E-04 1 0.1759301E-04 2 0.4477403E-04 3 0.9838728E-05 4 0.1384672E-05 5 0.8766301E-07 6 0.4036590E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.8178741E-14 1 0.1227749E-04 2 0.2398144E-04 3 0.3748204E-05 4 0.4723185E-06 5 0.3440803E-06 6 0.1389302E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.3566071E-12 1 0.6176603E-05 2 0.3482598E-05 3 0.2007566E-05 4 0.7272997E-06 5 0.1538072E-06 6 0.9593774E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.3932239E-07 1 0.1962676E-06 2 0.6934838E-07 3 0.1986975E-07 4 0.4692251E-08 5 0.2550211E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.3130148E-14 1 0.2773244E-09 2 0.5411111E-09 3 0.1062162E-08 4 0.1365305E-08 5 0.1654903E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.3864967E-15 1 0.1059666E-08 2 0.8373006E-09 3 0.4861607E-09 4 0.3571535E-08 5 0.7985735E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1566179E-07 1 0.1687339E-07 2 0.3121096E-07 3 0.1012162E-07 4 0.4166646E-08 5 0.5606149E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1070517E-14 1 0.2131424E-08 2 0.5950967E-08 3 0.1284866E-07 4 0.6271398E-08 5 0.1624136E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.3901227E-13 1 0.2355667E-08 2 0.1014428E-06 3 0.4026403E-07 4 0.9661049E-08 5 0.2639626E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.4685613E-16 1 0.3396211E-12 2 0.2032203E-10 3 0.3130164E-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 0.8752005E-13 1 0.1565730E-11 2 0.2077219E-10 3 0.4975046E-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 0.8167862E-17 1 0.2261373E-10 2 0.2384601E-09 3 0.3169285E-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 0.1390478E-16 1 0.4974299E-09 2 0.1080268E-08 3 0.4432377E-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 0.3372534E-09 1 0.1998091E-08 2 0.2306491E-08 3 0.7854137E-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 0.2697463E-16 1 0.1668542E-09 2 0.8328094E-09 3 0.1611566E-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 0.2104776E-15 1 0.3852059E-08 2 0.7204892E-08 3 0.3443627E-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 3 0 0.2448187E-08 1 0.1232608E-07 2 0.1107200E-07 3 0.1106423E-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 0.9067413E-17 1 0.1017287E-06 2 0.1378230E-07 3 0.2808327E-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 = 1.0008828 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.293973 average diffraction energy (ev) = 0.053612 the reaction probability = -0.8828004D-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 0.9988707E+00 0.5307835E-01 0.2913634E+00 1 0.1665326E-05 0.3674832E-01 0.6880634E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.5138739E-03 0 21 2 -2 0.2903929E-03 0 26 2 -1 0.1117710E-03 0 32 2 0 0.1956174E-03 0 37 2 1 0.8185870E-03 0 42 2 2 0.1830582E-02 0 13 4 -4 0.9231514E-04 0 17 4 -3 0.1000410E-04 0 22 4 -2 0.1164116E-04 0 27 4 -1 0.3495542E-04 0 33 4 0 0.1240518E-03 0 38 4 1 0.4796374E-03 0 43 4 2 0.2033962E-02 0 47 4 3 0.5341739E-02 0 51 4 4 0.1036832E-01 0 7 6 -6 0.8403328E-06 0 10 6 -5 0.4386658E-06 0 14 6 -4 0.2623335E-06 0 18 6 -3 0.6362706E-07 0 23 6 -2 0.3315042E-06 0 28 6 -1 0.2514994E-05 0 34 6 0 0.3125973E-04 0 39 6 1 0.4494903E-03 0 44 6 2 0.5052166E-02 0 48 6 3 0.3509450E-01 0 52 6 4 0.1243511E+00 0 55 6 5 0.2630148E+00 0 58 6 6 0.5478561E+00 0 3 8 -8 0.9107763E-10 0 5 8 -7 0.1295487E-09 0 8 8 -6 0.1511987E-09 0 11 8 -5 0.1289448E-09 0 15 8 -4 0.2869255E-09 0 19 8 -3 0.8417464E-09 0 24 8 -2 0.3134269E-08 0 29 8 -1 0.1355001E-07 0 35 8 0 0.8539975E-07 0 40 8 1 0.7743851E-06 0 45 8 2 0.5238263E-05 0 49 8 3 0.1430111E-04 0 53 8 4 0.5035174E-04 0 56 8 5 0.3190031E-03 0 59 8 6 0.1650430E-03 0 61 8 7 0.1453643E-03 0 63 8 8 0.5727886E-04 0 1 10 -10 0.6483146E-13 0 2 10 -9 0.6299888E-12 0 4 10 -8 0.8424508E-12 0 6 10 -7 0.2246358E-11 0 9 10 -6 0.1104184E-10 0 12 10 -5 0.3901347E-11 0 16 10 -4 0.1024169E-10 0 20 10 -3 0.6808802E-11 0 25 10 -2 0.6952849E-11 0 30 10 -1 0.1287850E-09 0 36 10 0 0.3767086E-09 0 41 10 1 0.1991530E-08 0 46 10 2 0.3690318E-08 0 50 10 3 0.1582948E-07 0 54 10 4 0.3375745E-07 0 57 10 5 0.3497007E-06 0 60 10 6 0.7069730E-06 0 62 10 7 0.6085840E-06 0 64 10 8 0.1633691E-06 0 65 10 9 0.5618070E-07 0 66 10 10 0.3114532E-07 1 31 0 0 0.4364154E-06 1 21 2 -2 0.1408709E-07 1 26 2 -1 0.3255715E-07 1 32 2 0 0.3133880E-06 1 37 2 1 0.4264766E-07 1 42 2 2 0.2091425E-06 1 13 4 -4 0.3104619E-09 1 17 4 -3 0.3011226E-09 1 22 4 -2 0.1802872E-08 1 27 4 -1 0.8144908E-08 1 33 4 0 0.7390034E-08 1 38 4 1 0.5649137E-08 1 43 4 2 0.2573092E-07 1 47 4 3 0.1725694E-06 1 51 4 4 0.3951688E-06 1 7 6 -6 0.1900417E-14 1 10 6 -5 0.6788544E-19 1 14 6 -4 0.1689746E-18 1 18 6 -3 0.4272155E-13 1 23 6 -2 0.1701689E-18 1 28 6 -1 0.2319433E-19 1 34 6 0 0.1132414E-12 1 39 6 1 0.3499502E-19 1 44 6 2 0.7181345E-20 1 48 6 3 0.3766966E-11 1 52 6 4 0.5663585E-18 1 55 6 5 0.3189843E-18 1 58 6 6 0.1709061E-10 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 0.6933415E-05 1 0.1125029E-04 2 0.4255657E-04 3 0.1045686E-03 4 0.1445580E-03 5 0.1303969E-03 6 0.6198709E-04 7 0.1097626E-04 8 0.6361000E-06 9 0.1059548E-07 v, j, mj = 0 2 -2 0 0.6797168E-12 1 0.3858877E-04 2 0.4911649E-04 3 0.7532315E-04 4 0.6450146E-04 5 0.4543554E-04 6 0.1533272E-04 7 0.2023246E-05 8 0.6734404E-07 9 0.4189906E-08 v, j, mj = 0 2 -1 0 0.2673541E-12 1 0.3978603E-05 2 0.3104481E-04 3 0.3228997E-04 4 0.2395618E-04 5 0.1507892E-04 6 0.4908983E-05 7 0.4958207E-06 8 0.1315724E-07 9 0.4512660E-08 v, j, mj = 0 2 0 0 0.2788581E-04 1 0.1898122E-04 2 0.6182101E-04 3 0.2277342E-04 4 0.2886558E-04 5 0.1851793E-04 6 0.1330664E-04 7 0.3270499E-05 8 0.1930270E-06 9 0.2274071E-08 v, j, mj = 0 2 1 0 0.7063571E-12 1 0.7019779E-05 2 0.8327789E-04 3 0.2311940E-03 4 0.2340894E-03 5 0.1814905E-03 6 0.7307879E-04 7 0.8252273E-05 8 0.1760631E-06 9 0.8296467E-08 v, j, mj = 0 2 2 0 0.4380087E-11 1 0.8800941E-04 2 0.1228511E-03 3 0.1823057E-03 4 0.4767386E-03 5 0.5007619E-03 6 0.3579951E-03 7 0.9728755E-04 8 0.4602001E-05 9 0.3038687E-07 v, j, mj = 0 4 -4 0 0.2701387E-12 1 0.1782718E-04 2 0.1992775E-04 3 0.2506652E-04 4 0.1850049E-04 5 0.8863368E-05 6 0.1992044E-05 7 0.1335386E-06 8 0.3473550E-08 9 0.7729804E-09 v, j, mj = 0 4 -3 0 0.2913303E-07 1 0.3206298E-06 2 0.3087647E-05 3 0.3897741E-05 4 0.2027192E-05 5 0.5855259E-06 6 0.4913766E-07 7 0.3637747E-08 8 0.2291547E-08 9 0.1166288E-08 v, j, mj = 0 4 -2 0 0.1907800E-12 1 0.1036002E-05 2 0.2171455E-05 3 0.3673360E-05 4 0.2769953E-05 5 0.1608479E-05 6 0.3327752E-06 7 0.4372651E-07 8 0.2276974E-08 9 0.3131684E-08 v, j, mj = 0 4 -1 0 0.3469553E-12 1 0.1877571E-05 2 0.9670828E-05 3 0.2026566E-04 4 0.1709973E-05 5 0.1017595E-05 6 0.3581448E-06 7 0.4786718E-07 8 0.4353463E-08 9 0.3424545E-08 v, j, mj = 0 4 0 0 0.3019751E-05 1 0.1834539E-05 2 0.6093259E-04 3 0.5671615E-04 4 0.1118422E-05 5 0.2633747E-06 6 0.1263944E-06 7 0.2816892E-07 8 0.4436526E-08 9 0.8018291E-08 v, j, mj = 0 4 1 0 0.2075735E-11 1 0.6620413E-05 2 0.3198003E-03 3 0.1050519E-03 4 0.3164513E-04 5 0.1158949E-04 6 0.4277408E-05 7 0.6294687E-06 8 0.1141312E-07 9 0.1189071E-07 v, j, mj = 0 4 2 0 0.2472523E-10 1 0.1833527E-03 2 0.5868486E-03 3 0.5695438E-03 4 0.4529582E-03 5 0.2084490E-03 6 0.3146967E-04 7 0.1291949E-05 8 0.3010694E-07 9 0.1767928E-07 v, j, mj = 0 4 3 0 0.2015350E-05 1 0.1522020E-03 2 0.4845687E-03 3 0.5673164E-03 4 0.2034398E-02 5 0.1745914E-02 6 0.3408307E-03 7 0.1427992E-04 8 0.2008872E-06 9 0.1380946E-07 v, j, mj = 0 4 4 0 0.1562092E-09 1 0.1614026E-02 2 0.7673942E-03 3 0.4711521E-03 4 0.1644535E-02 5 0.4081458E-02 6 0.1668967E-02 7 0.1197891E-03 8 0.9934712E-06 9 0.7947530E-08 v, j, mj = 0 6 -6 0 0.5616012E-07 1 0.7956133E-07 2 0.2081411E-06 3 0.2342832E-06 4 0.1949514E-06 5 0.6301159E-07 6 0.3982956E-08 7 0.2036645E-09 8 0.3741825E-10 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.1571460E-11 1 0.1947075E-07 2 0.8234781E-07 3 0.1562263E-06 4 0.1388396E-06 5 0.3912731E-07 6 0.2354429E-08 7 0.1401571E-09 8 0.1579528E-09 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.5540229E-14 1 0.1054865E-06 2 0.1032908E-06 3 0.3859313E-07 4 0.8249016E-08 5 0.4790326E-08 6 0.1179291E-08 7 0.2965177E-09 8 0.4479787E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.5752917E-09 1 0.1447738E-08 2 0.2548389E-07 3 0.2119568E-07 4 0.7462628E-08 5 0.3406616E-08 6 0.1578787E-08 7 0.1258694E-08 8 0.1217731E-08 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.8842923E-13 1 0.6462693E-07 2 0.7407246E-07 3 0.1377074E-06 4 0.4216404E-07 5 0.5875137E-08 6 0.3060207E-08 7 0.1747107E-08 8 0.2250886E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1047120E-12 1 0.1791460E-06 2 0.4128278E-06 3 0.1479998E-05 4 0.4044613E-06 5 0.1419821E-07 6 0.5843070E-08 7 0.1130575E-07 8 0.7213714E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.2459188E-06 1 0.1322748E-06 2 0.5885845E-05 3 0.1963240E-04 4 0.5038302E-05 5 0.2905348E-06 6 0.1422687E-07 7 0.1146877E-07 8 0.8754806E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.4774148E-12 1 0.1256434E-04 2 0.1219730E-03 3 0.2466730E-03 4 0.6334342E-04 5 0.4623989E-05 6 0.2082452E-06 7 0.8495303E-07 8 0.1932515E-07 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1215129E-10 1 0.6261978E-04 2 0.1891354E-02 3 0.2324970E-02 4 0.7019278E-03 5 0.6890793E-04 6 0.2195277E-05 7 0.1765514E-06 8 0.1446656E-07 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1791642E-05 1 0.1037164E-02 2 0.1162524E-01 3 0.1604223E-01 4 0.5641875E-02 5 0.7165703E-03 6 0.2902202E-04 7 0.5994855E-06 8 0.1337425E-07 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.3472928E-10 1 0.5759604E-03 2 0.3373681E-01 3 0.5863383E-01 4 0.2682254E-01 5 0.4373304E-02 6 0.2064721E-03 7 0.2127910E-05 8 0.1443784E-07 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1248120E-12 1 0.4635210E-01 2 0.2960638E-01 3 0.8661301E-01 4 0.8291884E-01 5 0.1675060E-01 6 0.7674920E-03 7 0.6330995E-05 8 0.1913566E-07 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1262736E-01 1 0.2652860E+00 2 0.1555109E+00 3 0.1236935E-01 4 0.6407444E-01 5 0.3541458E-01 6 0.2553167E-02 7 0.2025941E-04 8 0.2794201E-07 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2008736E-13 1 0.6928773E-11 2 0.2602522E-10 3 0.1939854E-10 4 0.1426799E-10 5 0.1021296E-10 6 0.1422406E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.8855953E-13 1 0.1761512E-10 2 0.1652156E-10 3 0.5045397E-10 4 0.1773272E-10 5 0.1098959E-10 6 0.1614722E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.1583226E-10 1 0.1231133E-10 2 0.1865775E-10 3 0.1374681E-10 4 0.4748976E-10 5 0.2886151E-10 6 0.1429929E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1014841E-13 1 0.7073730E-11 2 0.6278469E-11 3 0.3710646E-10 4 0.3254840E-10 5 0.1799913E-10 6 0.2792843E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.3261998E-16 1 0.1155128E-10 2 0.2193031E-10 3 0.5282226E-10 4 0.6037335E-10 5 0.4075763E-10 6 0.9949059E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.4780652E-12 1 0.1406631E-10 2 0.2626098E-10 3 0.1260083E-09 4 0.1744978E-09 5 0.1763186E-09 6 0.3241164E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.3966294E-15 1 0.6479915E-10 2 0.4734239E-09 3 0.8925226E-09 4 0.2815346E-09 5 0.7198043E-09 6 0.7021838E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1958262E-15 1 0.1991821E-09 2 0.1568432E-08 3 0.3265873E-08 4 0.1453288E-08 5 0.2458718E-08 6 0.4604521E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.4245304E-08 1 0.2419491E-08 2 0.1201169E-07 3 0.3903311E-07 4 0.1453562E-07 5 0.1000264E-07 6 0.3151885E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1223100E-14 1 0.3759414E-07 2 0.1998531E-06 3 0.3779655E-06 4 0.1143465E-06 5 0.2199456E-07 6 0.2263132E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2238465E-13 1 0.1366161E-06 2 0.2041279E-05 3 0.2553181E-05 4 0.4471849E-06 5 0.4213393E-07 6 0.1786830E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1750675E-07 1 0.1619636E-06 2 0.3930940E-05 3 0.8066827E-05 4 0.1914467E-05 5 0.1720107E-06 6 0.3739925E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.7140881E-13 1 0.8696933E-05 2 0.2337766E-04 3 0.1408065E-04 4 0.3830142E-05 5 0.2746650E-06 6 0.9168800E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.9122966E-14 1 0.9903488E-04 2 0.1734150E-03 3 0.3950542E-04 4 0.6353127E-05 5 0.5933526E-06 6 0.1013441E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.1125450E-03 1 0.6992580E-05 2 0.2822817E-04 3 0.1368906E-04 4 0.3181031E-05 5 0.3841133E-06 6 0.2295762E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.7033631E-13 1 0.1895088E-05 2 0.9403673E-04 3 0.4525826E-04 4 0.3850717E-05 5 0.2079404E-06 6 0.1155887E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.2938880E-11 1 0.2052334E-04 2 0.2942172E-05 3 0.2776616E-04 4 0.5876184E-05 5 0.1215854E-06 6 0.4941773E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.8072187E-16 1 0.1390535E-13 2 0.5084538E-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 0.9355904E-13 1 0.6688645E-13 2 0.4695433E-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 0.5700414E-15 1 0.4973539E-12 2 0.3445269E-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 0.6806441E-17 1 0.1221613E-11 2 0.1024739E-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 0.2656374E-11 1 0.4417844E-11 2 0.3967619E-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 -5 0 0.1943972E-15 1 0.1962571E-11 2 0.1938581E-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 0.1424373E-16 1 0.1417438E-11 2 0.8824237E-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 0.7536391E-12 1 0.2184690E-11 2 0.3870473E-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 -2 0 0.8655807E-17 1 0.1061462E-11 2 0.5891379E-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 -1 0 0.1247164E-16 1 0.5700067E-10 2 0.7178432E-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 0 0 0.1866421E-10 1 0.1009704E-09 2 0.2570740E-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 0.1395221E-17 1 0.3095631E-09 2 0.1681967E-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 2 0 0.7512051E-17 1 0.1369673E-09 2 0.3553351E-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 3 0 0.6037303E-09 1 0.4258799E-08 2 0.1096695E-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 4 0 0.6269221E-16 1 0.2851355E-08 2 0.3090609E-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 0.1849858E-16 1 0.5117376E-07 2 0.2985269E-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 0.3270257E-06 1 0.3187517E-06 2 0.6119557E-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 0.7215036E-16 1 0.1324680E-06 2 0.4761159E-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 0.2302498E-15 1 0.8615046E-07 2 0.7721860E-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 0.1967142E-09 1 0.1261328E-07 2 0.4337071E-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 0.1736195E-15 1 0.1668477E-07 2 0.1446056E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.6077140E-08 1 0.9170840E-07 2 0.1909181E-06 3 0.1123916E-06 4 0.3235470E-07 5 0.2423031E-08 6 0.5424471E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1119937E-12 1 0.2679767E-08 2 0.7434113E-08 3 0.1838319E-08 4 0.1373049E-08 5 0.7364748E-09 6 0.2525865E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1684767E-13 1 0.6768349E-08 2 0.1480242E-07 3 0.7016303E-08 4 0.1408614E-08 5 0.2388086E-08 6 0.1733574E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.1335679E-07 1 0.8809950E-07 2 0.1152805E-06 3 0.8124508E-07 4 0.1404432E-07 5 0.1293825E-08 6 0.6795635E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.1046637E-13 1 0.3067421E-08 2 0.2439332E-07 3 0.5415615E-08 4 0.3916526E-08 5 0.5624523E-08 6 0.2302532E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4809740E-12 1 0.9820654E-07 2 0.5914138E-07 3 0.2893076E-07 4 0.1462708E-07 5 0.7864986E-08 6 0.3712286E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.1513154E-15 1 0.6556277E-11 2 0.9429765E-10 3 0.1350401E-09 4 0.7456765E-10 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.1082270E-10 1 0.2611334E-10 2 0.2347468E-10 3 0.1007309E-09 4 0.1399810E-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 0.1705177E-14 1 0.5789742E-10 2 0.2387068E-09 3 0.9118674E-09 4 0.5943985E-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 0.7582430E-15 1 0.1346110E-08 2 0.2609458E-08 3 0.2554943E-08 4 0.1634397E-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 0.7825490E-09 1 0.1605335E-09 2 0.4663490E-08 3 0.4129295E-09 4 0.1370532E-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 0.6399402E-15 1 0.9897588E-09 2 0.1035174E-08 3 0.1066419E-08 4 0.2557784E-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 0.1463351E-13 1 0.5534822E-08 2 0.8171458E-08 3 0.7413565E-08 4 0.4611063E-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 0.5046166E-08 1 0.3375832E-07 2 0.5792129E-07 3 0.6347766E-07 4 0.1236599E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.1788700E-13 1 0.1224658E-06 2 0.2018292E-06 3 0.5379156E-07 4 0.1708226E-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 = 0.9988724 average vibrational energy (ev) = 0.000001 average rotational energy (ev) = 0.291363 average diffraction energy (ev) = 0.053078 the reaction probability = 0.1127609D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 104578.0968 (a) ... Propagating the wavefunction 102366.4109 (b) Setup time 1968.5243 Saving the wave function for rerun 72.2625 Calculating averages 4.8036 Calculating and saving BK-coeffs 12.1667 Asymptotic analysis 4.3592 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 104428.5271 (a) ... FFTs along X and Y 4691.2153 Kinetic energy operation along Z 26720.3658 Kinetic energy operation along r 20882.8538 Potential energy multiplication 12785.5023 Legengre transforms 30531.3599 Shifting the wavefunction 2414.4742 Kinetic energy multiplications (xy) 447.4818 Absorbing the wavefunction 545.8548 Projection formalism 18.4954 Operations on specular grid 0.1553 ----------------------------------------------------- Sum 99037.7585 (b) ... Potential initialisation time 0.0000 Potential setup time 1923.9144 FFTs along X 2451.8978 FFTs along Y 2239.3174 Time spent on FGH for asympwf 0.4295 Ending date and time: Sat Aug 3 07:37:19 CEST 2019