Starting date and time: Wed Jul 31 19:27:04 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 20190731 at 192704.789 *** * 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: v0j6mj4-0.15eV-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: 4 * 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: 4 * 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 = 4 ... *** CONTINUING SETUP II *** * Setting up the angular DVR/FBR transform module and the transformation matric es ... *** SETUP DONE *** ******************************************************************************** INFO FROM MISCELLANEOUS SETUP ******************************************************************************** grid interval size in kz dir. (scat. grid) = 0.317333 grid interval size in kz dir. (spec. grid) = 0.249333 initial momentum in z direction = 9.275865 grid interval size in kr dir. = 0.747998 grid interval size in kx dir. = 1.491644 initial momentum in reciprocal x direction = 0.000000 grid interval size in ky dir. = 1.491644 initial momentum in reciprocal y direction = 0.000000 For backward compatibility: nmoder = 4 asymptotic analysis at z = 15.200000 No flux analysis performed. nzpot = 162 optical potential in z scat.grid: nzchsp = 163 z(nzchsp)= 15.200000 optical potential in z scat.grid: nzchmx = 198 z(nzchmx)= 18.700000 optical potential in z spec.grid: nschsp = 209 z(nschsp)= 19.800000 optical potential in z spec.grid: nschmx = 252 z(nschmx)= 24.100000 optical potential in r scat.grid: nrchsp = 26 r(nrchsp)= 4.550000 optical potential in r scat.grid: nrchmx = 56 r(nrchmx)= 9.050000 max kinetic energy in r (ev) = 6.497306 with current time interval in the analysis the max total energy for which results can be obtained (eV) = 1.709743 zero of etot is energy lowest h2 state the 95% confidence interval defined by alfwv and enrgy: ectmin (ev) = 0.150000 ectmax (ev) = 0.550000 Total time for potential initialisation = 0.25987625E-04 secs * Grids are setup! * 5-Mode arrays are allocated! * 4-Mode arrays are allocated! ******************************************************************************** INFO FROM SETTING UP THE INTERACTION POTENTIAL ******************************************************************************** * Setting up the Cu111_B86SRP68-DF2_Z8A_C3v PES... Number of points in Z for which the potential is calculated = 162 Number of points in r for which the potential is calculated = 56 Number of points in x for which the potential is calculated = 20 Number of points in y for which the potential is calculated = 20 Number of points in theta for which the potential is calculated = 14 Number of points in phi for which the potential is calculated = 56 iz = 1 iz = 2 iz = 3 iz = 4 iz = 5 iz = 6 iz = 7 iz = 8 iz = 9 iz = 10 iz = 11 iz = 12 iz = 13 iz = 14 iz = 15 iz = 16 iz = 17 iz = 18 iz = 19 iz = 20 iz = 21 iz = 22 iz = 23 iz = 24 iz = 25 iz = 26 iz = 27 iz = 28 iz = 29 iz = 30 iz = 31 iz = 32 iz = 33 iz = 34 iz = 35 iz = 36 iz = 37 iz = 38 iz = 39 iz = 40 iz = 41 iz = 42 iz = 43 iz = 44 iz = 45 iz = 46 iz = 47 iz = 48 iz = 49 iz = 50 iz = 51 iz = 52 iz = 53 iz = 54 iz = 55 iz = 56 iz = 57 iz = 58 iz = 59 iz = 60 iz = 61 iz = 62 iz = 63 iz = 64 iz = 65 iz = 66 iz = 67 iz = 68 iz = 69 iz = 70 iz = 71 iz = 72 iz = 73 iz = 74 iz = 75 iz = 76 iz = 77 iz = 78 iz = 79 iz = 80 iz = 81 iz = 82 iz = 83 iz = 84 iz = 85 iz = 86 iz = 87 iz = 88 iz = 89 iz = 90 iz = 91 iz = 92 iz = 93 iz = 94 iz = 95 iz = 96 iz = 97 iz = 98 iz = 99 iz = 100 iz = 101 iz = 102 iz = 103 iz = 104 iz = 105 iz = 106 iz = 107 iz = 108 iz = 109 iz = 110 iz = 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 = 143 iz = 145 iz = 149 iz = 153 iz = 157 iz = 144 iz = 161 iz = 148 iz = 152 iz = 147 iz = 156 iz = 151 iz = 160 iz = 146 iz = 155 iz = 150 iz = 159 iz = 154 iz = 158 iz = 162 Saving Cu111_B86SRP68-DF2_Z8A_C3v PES into file : ./Cu111_B86SRP68-DF2_Z8A_C3v_162_-1.000_0.100_56_0.800_0.150_20_20_4.864_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 = 0.18956163E+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 = 236 ******************************************************************************** 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 = 13822 ******************************************************************************** INFO FROM SETTING UP THE OPTICAL POTENTIALS ******************************************************************************** * Optical potential in Z absorbs with coefficient: 0.83111374E-02 * Optical potential in r absorbs with coefficient: 0.93569763E-02 * Optical potential in Z specular absorbs with coefficient: 0.64071284E-02 ******************************************************************************** INFO FROM SETTING UP THE GRID ENERGIES ******************************************************************************** * Maximum diffraction order included on the momentum grid = 0 * Number of diffraction channels included = 0 * Number of diffraction channels excluded = 0 * initial parallel energy (eV) = 0.00000000E+00 ******************************************************************************** INFO FROM SETTING UP THE KINETIC ENERGY OPERATORS ******************************************************************************** ******************************************************************************** INFO FROM SETTING UP THE WAVE FUNCTION ******************************************************************************** * Norm initial wave packet (Z,r) = 0.10000000E+01 * Absolute value of the wave function in momentum space: - at k = 0 0.20426229E-04 - at the end/beginning of the grid 0.20158188E-14 - maximum value = 0.52335254E+00 * Grid point boundaries between which initial wave packet must be located: - Low boundary (asymptotic value of Z), iLow = 163 - High boundary (start of opt. pot on spec. grid), iHigh = 208 * Norm of the initial wave packet between iLow and iHigh = 0.10000000E+01 ******************************************************************************** INFO FROM SETTING UP THE ANALYSIS ******************************************************************************** * Tolerance for fixing the dynamical analysis surface on the specular grid = 0.10000000E-08 * Maximum j in analysis: jana = 10 * Maximum v in analysis: nviba = 2 * Maximum diffraction order in analysis: mdifa = 9 ******************************************************************************** INFO FROM SETTING UP THE SPLIT OPERATOR PROPAGATOR ******************************************************************************** ----- Split operator propagator set up ----- ******************************************************************************** INFO ON PROPAGATING THE WAVE PACKET ******************************************************************************** time norm z r rest norm 0.00000000E+00 1.00000000 17.40000000 1.50436726 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 14.24395527 1.50437997 0.47394701E-01 0.13000000E+04 0.99999940 14.11763265 1.50437824 0.33589138E-01 0.13500000E+04 0.99999938 13.99129296 1.50437425 0.23771123E-01 0.14000000E+04 0.99999936 13.86493471 1.50437107 0.16830002E-01 0.14500000E+04 0.99999933 13.73855631 1.50437666 0.11939068E-01 0.15000000E+04 0.99999931 13.61215596 1.50438901 0.84968604E-02 0.15500000E+04 0.99999929 13.48573161 1.50439342 0.60728884E-02 0.16000000E+04 0.99999926 13.35928093 1.50439336 0.43625351E-02 0.16500000E+04 0.99999924 13.23280123 1.50439875 0.31518915E-02 0.17000000E+04 0.99999922 13.10628946 1.50440333 0.22914444E-02 0.17500000E+04 0.99999920 12.97974219 1.50441158 0.16769322E-02 0.18000000E+04 0.99999917 12.85315558 1.50442946 0.12356808E-02 0.18500000E+04 0.99999915 12.72652544 1.50445601 0.91698013E-03 0.19000000E+04 0.99999913 12.59984725 1.50447767 0.68536681E-03 0.19500000E+04 0.99999910 12.47311617 1.50449440 0.51596011E-03 0.20000000E+04 0.99999908 12.34632711 1.50451884 0.39123480E-03 0.20500000E+04 0.99999906 12.21947476 1.50454487 0.29879151E-03 0.21000000E+04 0.99999903 12.09255366 1.50457440 0.22981285E-03 0.21500000E+04 0.99999901 11.96555817 1.50461355 0.17799602E-03 0.22000000E+04 0.99999899 11.83848258 1.50466083 0.13881048E-03 0.22500000E+04 0.99999897 11.71132107 1.50470343 0.10898062E-03 0.23000000E+04 0.99999894 11.58406773 1.50473930 0.86124853E-04 0.23500000E+04 0.99999892 11.45671659 1.50478146 0.68500149E-04 0.24000000E+04 0.99999890 11.32926163 1.50482674 0.54823678E-04 0.24500000E+04 0.99999887 11.20169674 1.50487245 0.44145457E-04 0.25000000E+04 0.99999885 11.07401581 1.50492737 0.35757788E-04 0.25500000E+04 0.99999883 10.94621266 1.50498789 0.29130376E-04 0.26000000E+04 0.99999881 10.81828117 1.50504419 0.23863572E-04 0.26500000E+04 0.99999878 10.69021523 1.50509197 0.19654234E-04 0.27000000E+04 0.99999876 10.56200889 1.50514436 0.16272049E-04 0.27500000E+04 0.99999874 10.43365637 1.50520223 0.13539868E-04 0.28000000E+04 0.99999871 10.30515221 1.50525901 0.11321416E-04 0.28500000E+04 0.99999869 10.17649136 1.50532445 0.95111307E-05 0.29000000E+04 0.99999867 10.04766938 1.50539562 0.80268021E-05 0.29500000E+04 0.99999864 9.91868256 1.50546345 0.68038559E-05 0.30000000E+04 0.99999862 9.78952817 1.50552344 0.57921123E-05 0.30500000E+04 0.99999860 9.66020471 1.50558837 0.49512892E-05 0.31000000E+04 0.99999857 9.53071215 1.50566231 0.42495449E-05 0.31500000E+04 0.99999855 9.40105225 1.50573797 0.36614511E-05 0.32000000E+04 0.99999853 9.27122892 1.50582345 0.31666275E-05 0.32500000E+04 0.99999851 9.14124858 1.50592013 0.27486732E-05 0.33000000E+04 0.99999848 9.01112055 1.50601804 0.23943190E-05 0.33500000E+04 0.99999846 8.88085755 1.50611637 0.20927681E-05 0.34000000E+04 0.99999844 8.75047611 1.50622640 0.18352019E-05 0.34500000E+04 0.99999841 8.61999709 1.50635839 0.16144143E-05 0.35000000E+04 0.99999839 8.48944619 1.50650666 0.14245179E-05 0.35500000E+04 0.99999836 8.35885448 1.50667857 0.12604489E-05 0.36000000E+04 0.99999834 8.22825894 1.50688325 0.11186845E-05 0.36500000E+04 0.99999832 8.09770298 1.50711287 0.99561967E-06 0.37000000E+04 0.99999829 7.96723698 1.50737177 0.88843458E-06 0.37500000E+04 0.99999827 7.83691880 1.50767451 0.79477994E-06 0.38000000E+04 0.99999824 7.70681422 1.50803829 0.71271725E-06 0.38500000E+04 0.99999821 7.57699744 1.50846362 0.64064279E-06 0.39000000E+04 0.99999819 7.44755136 1.50895958 0.57720739E-06 0.39500000E+04 0.99999815 7.31856799 1.50954228 0.52105202E-06 0.40000000E+04 0.99999812 7.19014859 1.51021112 0.47159786E-06 0.40500000E+04 0.99999807 7.06240391 1.51097148 0.42777678E-06 0.41000000E+04 0.99999800 6.93545415 1.51184190 0.38884448E-06 0.41500000E+04 0.99999791 6.80942893 1.51283940 0.35415015E-06 0.42000000E+04 0.99999777 6.68446713 1.51396795 0.32313742E-06 0.42500000E+04 0.99999756 6.56071655 1.51522827 0.29535713E-06 0.43000000E+04 0.99999726 6.43833350 1.51663146 0.27046371E-06 0.43500000E+04 0.99999680 6.31748228 1.51817225 0.24798536E-06 0.44000000E+04 0.99999613 6.19833453 1.51984108 0.22804716E-06 0.44500000E+04 0.99999516 6.08106842 1.52164192 0.21015946E-06 0.45000000E+04 0.99999378 5.96586787 1.52357282 0.19402992E-06 0.45500000E+04 0.99999187 5.85292155 1.52562032 0.17940090E-06 0.46000000E+04 0.99998925 5.74242186 1.52776084 0.16607626E-06 0.46500000E+04 0.99998574 5.63456385 1.52997813 0.15391588E-06 0.47000000E+04 0.99998110 5.52954411 1.53224623 0.14281118E-06 0.47500000E+04 0.99997510 5.42755956 1.53453058 0.13266591E-06 0.48000000E+04 0.99996745 5.32880626 1.53680853 0.12339419E-06 0.48500000E+04 0.99995789 5.23347814 1.53905944 0.11492554E-06 0.49000000E+04 0.99994612 5.14176569 1.54125533 0.10720105E-06 0.49500000E+04 0.99993188 5.05385464 1.54336556 0.10016023E-06 0.50000000E+04 0.99991492 4.96992461 1.54536654 0.93531114E-07 0.50500000E+04 0.99989504 4.89014784 1.54723738 0.87646156E-07 0.51000000E+04 0.99987209 4.81468786 1.54895028 0.82221615E-07 0.51500000E+04 0.99984601 4.74369843 1.55048610 0.77198565E-07 0.52000000E+04 0.99981679 4.67732240 1.55183081 0.72540464E-07 0.52500000E+04 0.99978455 4.61569096 1.55296545 0.68225736E-07 0.53000000E+04 0.99974946 4.55892282 1.55387221 0.64236151E-07 0.53500000E+04 0.99971180 4.50712367 1.55454171 0.60552282E-07 0.54000000E+04 0.99967193 4.46038560 1.55497662 0.57152628E-07 0.54500000E+04 0.99963026 4.41878667 1.55518388 0.54015795E-07 0.55000000E+04 0.99958725 4.38239040 1.55518117 0.51120576E-07 0.55500000E+04 0.99954338 4.35124552 1.55499514 0.48437862E-07 0.56000000E+04 0.99949917 4.32538569 1.55464694 0.45759032E-07 0.56500000E+04 0.99945508 4.30482966 1.55414780 0.43441270E-07 0.57000000E+04 0.99941157 4.28958158 1.55350092 0.41265447E-07 0.57500000E+04 0.99936908 4.27963159 1.55270423 0.39222757E-07 0.58000000E+04 0.99932798 4.27495671 1.55175284 0.37287512E-07 0.58500000E+04 0.99928861 4.27552157 1.55064831 0.35452231E-07 0.59000000E+04 0.99925127 4.28127909 1.54940901 0.33767148E-07 0.59500000E+04 0.99921618 4.29217099 1.54806607 0.32179382E-07 0.60000000E+04 0.99918356 4.30812814 1.54665770 0.30619768E-07 0.60500000E+04 0.99915353 4.32907089 1.54522141 0.29197204E-07 0.61000000E+04 0.99912619 4.35490976 1.54378154 0.27844450E-07 0.61500000E+04 0.99910157 4.38554639 1.54233975 0.26454648E-07 0.62000000E+04 0.99907962 4.42087488 1.54087730 0.25162333E-07 0.62500000E+04 0.99906026 4.46078325 1.53937239 0.24131126E-07 0.63000000E+04 0.99904336 4.50515455 1.53781631 0.22753450E-07 0.63500000E+04 0.99902874 4.55386763 1.53622449 0.21784712E-07 0.64000000E+04 0.99901620 4.60679732 1.53463689 0.21365009E-07 0.64500000E+04 0.99900552 4.66381432 1.53310149 0.20115036E-07 0.65000000E+04 0.99899649 4.72478518 1.53164999 0.18888789E-07 0.65500000E+04 0.99898888 4.78957264 1.53028104 0.19372946E-07 0.66000000E+04 0.99898249 4.85803640 1.52896358 0.19161687E-07 0.66500000E+04 0.99897714 4.93003430 1.52765751 0.17095032E-07 0.67000000E+04 0.99897266 5.00542340 1.52634025 0.17727338E-07 0.67500000E+04 0.99896890 5.08406082 1.52502458 0.21209027E-07 0.68000000E+04 0.99896574 5.16580423 1.52375280 0.21160517E-07 ==> ZAnalysis on specular channel fixed at Z = 0.16800000E+02 0.68500000E+04 0.99896307 5.25051200 1.52257044 0.19928996E-07 0.69000000E+04 0.99896080 5.33804344 1.52149739 0.27409328E-07 0.69500000E+04 0.99895885 5.42825904 1.52051552 0.39822780E-07 0.70000000E+04 0.99895716 5.52102107 1.51958123 0.45743286E-07 0.70500000E+04 0.99895566 5.61619414 1.51865396 0.54058284E-07 0.71000000E+04 0.99895431 5.71364579 1.51772350 0.83186235E-07 0.71500000E+04 0.99895305 5.81324681 1.51681580 0.12681005E-06 0.72000000E+04 0.99895185 5.91487135 1.51597308 0.16707231E-06 0.72500000E+04 0.99895063 6.01839696 1.51522293 0.21715221E-06 0.73000000E+04 0.99894935 6.12370461 1.51455854 0.30982351E-06 0.73500000E+04 0.99894791 6.23067879 1.51394359 0.44536895E-06 0.74000000E+04 0.99894622 6.33920775 1.51333793 0.59584403E-06 0.74500000E+04 0.99894413 6.44918366 1.51272559 0.76735877E-06 0.75000000E+04 0.99894147 6.56050279 1.51212470 0.10092153E-05 0.75500000E+04 0.99893800 6.67306539 1.51157213 0.13415505E-05 0.76000000E+04 0.99893340 6.78677562 1.51109458 0.17230207E-05 0.76500000E+04 0.99892728 6.90154123 1.51068770 0.21264928E-05 0.77000000E+04 0.99891913 7.01727337 1.51031842 0.26024153E-05 0.77500000E+04 0.99890828 7.13388631 1.50994845 0.32149377E-05 0.78000000E+04 0.99889392 7.25129723 1.50956136 0.39519423E-05 0.78500000E+04 0.99887502 7.36942593 1.50917294 0.47793901E-05 0.79000000E+04 0.99885032 7.48819451 1.50881751 0.57889757E-05 0.79500000E+04 0.99881825 7.60752701 1.50852076 0.72253561E-05 0.80000000E+04 0.99877693 7.72734895 1.50827972 0.93635308E-05 0.80500000E+04 0.99872410 7.84758694 1.50806459 0.12472028E-04 0.81000000E+04 0.99865708 7.96816830 1.50784093 0.17014662E-04 0.81500000E+04 0.99857273 8.08902071 1.50759511 0.23891882E-04 0.82000000E+04 0.99846741 8.21007198 1.50734337 0.34431701E-04 0.82500000E+04 0.99833696 8.33124990 1.50711799 0.50189929E-04 0.83000000E+04 0.99817669 8.45248222 1.50694138 0.72934477E-04 0.83500000E+04 0.99798137 8.57369669 1.50680796 0.10497613E-03 0.84000000E+04 0.99774526 8.69482127 1.50668793 0.14949606E-03 0.84500000E+04 0.99746215 8.81578450 1.50654962 0.21042383E-03 0.85000000E+04 0.99712542 8.93651592 1.50638356 0.29191871E-03 0.85500000E+04 0.99672811 9.05694672 1.50620939 0.39800193E-03 0.86000000E+04 0.99626305 9.17701046 1.50606038 0.53268546E-03 0.86500000E+04 0.99572293 9.29664384 1.50595749 0.70026016E-03 0.87000000E+04 0.99510049 9.41578744 1.50589279 0.90509814E-03 0.87500000E+04 0.99438855 9.53438638 1.50583502 0.11508288E-02 0.88000000E+04 0.99358014 9.65239076 1.50575317 0.14394773E-02 0.88500000E+04 0.99266852 9.76975581 1.50563991 0.17712617E-02 0.89000000E+04 0.99164720 9.88644165 1.50551689 0.21451201E-02 0.89500000E+04 0.99050983 10.00241276 1.50541777 0.25593297E-02 0.90000000E+04 0.98925014 10.11763703 1.50536212 0.30116259E-02 0.90500000E+04 0.98786174 10.23208464 1.50534002 0.34988684E-02 0.91000000E+04 0.98633794 10.34572672 1.50531910 0.40168359E-02 0.91500000E+04 0.98467155 10.45853414 1.50526912 0.45606184E-02 0.92000000E+04 0.98285472 10.57047630 1.50518496 0.51255117E-02 0.92500000E+04 0.98087878 10.68152024 1.50509061 0.57078785E-02 0.93000000E+04 0.97873415 10.79163014 1.50502092 0.63055409E-02 0.93500000E+04 0.97641029 10.90076707 1.50499522 0.69176498E-02 0.94000000E+04 0.97389575 11.00888925 1.50500263 0.75442587E-02 0.94500000E+04 0.97117829 11.11595263 1.50501007 0.81858738E-02 0.95000000E+04 0.96824504 11.22191179 1.50498710 0.88431375E-02 0.95500000E+04 0.96508275 11.32672111 1.50492829 0.95166638E-02 0.96000000E+04 0.96167809 11.43033610 1.50485648 0.10206959E-01 0.96500000E+04 0.95801790 11.53271475 1.50480451 0.10914307E-01 0.97000000E+04 0.95408957 11.63381883 1.50479002 0.11638550E-01 0.97500000E+04 0.94988125 11.73361487 1.50480252 0.12378783E-01 0.98000000E+04 0.94538212 11.83207495 1.50481241 0.13133065E-01 0.98500000E+04 0.94058249 11.92917691 1.50479484 0.13898200E-01 0.99000000E+04 0.93547385 12.02490427 1.50474943 0.14669644E-01 0.99500000E+04 0.93004886 12.11924562 1.50470032 0.15441629E-01 0.10000000E+05 0.92430127 12.21219376 1.50467646 0.16207530E-01 0.10050000E+05 0.91822570 12.30374462 1.50468772 0.16960350E-01 0.10100000E+05 0.91181759 12.39389613 1.50471585 0.17693138E-01 0.10150000E+05 0.90507300 12.48264726 1.50472770 0.18399251E-01 0.10200000E+05 0.89798854 12.56999717 1.50470124 0.19072504E-01 0.10250000E+05 0.89056135 12.65594479 1.50464405 0.19707307E-01 0.10300000E+05 0.88278910 12.74048864 1.50458921 0.20298770E-01 0.10350000E+05 0.87467011 12.82362698 1.50457095 0.20842797E-01 0.10400000E+05 0.86620345 12.90535820 1.50459807 0.21336142E-01 0.10450000E+05 0.85738910 12.98568133 1.50464579 0.21776393E-01 0.10500000E+05 0.84822808 13.06459663 1.50467299 0.22161942E-01 0.10550000E+05 0.83872256 13.14210609 1.50465267 0.22491968E-01 0.10600000E+05 0.82887598 13.21821385 1.50459314 0.22766513E-01 0.10650000E+05 0.81869305 13.29292644 1.50453302 0.22986526E-01 0.10700000E+05 0.80817982 13.36625290 1.50451309 0.23153733E-01 0.10750000E+05 0.79734363 13.43820471 1.50454557 0.23270295E-01 0.10800000E+05 0.78619309 13.50879567 1.50460377 0.23338445E-01 0.10850000E+05 0.77473809 13.57804163 1.50464082 0.23360288E-01 0.10900000E+05 0.76298974 13.64596027 1.50462399 0.23337886E-01 0.10950000E+05 0.75096039 13.71257094 1.50455987 0.23273536E-01 0.11000000E+05 0.73866359 13.77789441 1.50449061 0.23170043E-01 0.11050000E+05 0.72611415 13.84195277 1.50446369 0.23030770E-01 0.11100000E+05 0.71332807 13.90476929 1.50449722 0.22859452E-01 0.11150000E+05 0.70032255 13.96636832 1.50456604 0.22659965E-01 0.11200000E+05 0.68711587 14.02677509 1.50461939 0.22436207E-01 0.11250000E+05 0.67372736 14.08601559 1.50461727 0.22191980E-01 0.11300000E+05 0.66017723 14.14411632 1.50455928 0.21930829E-01 0.11350000E+05 0.64648644 14.20110406 1.50448464 0.21655863E-01 0.11400000E+05 0.63267650 14.25700563 1.50444367 0.21369712E-01 0.11450000E+05 0.61876936 14.31184761 1.50446207 0.21074666E-01 0.11500000E+05 0.60478713 14.36565611 1.50452329 0.20772896E-01 0.11550000E+05 0.59075203 14.41845665 1.50458135 0.20466673E-01 0.11600000E+05 0.57668611 14.47027402 1.50459400 0.20158457E-01 0.11650000E+05 0.56261123 14.52113232 1.50455235 0.19850799E-01 0.11700000E+05 0.54854886 14.57105498 1.50448595 0.19546072E-01 0.11750000E+05 0.53452000 14.62006494 1.50444079 0.19246249E-01 0.11800000E+05 0.52054513 14.66818480 1.50444678 0.18952903E-01 0.11850000E+05 0.50664413 14.71543710 1.50449743 0.18667344E-01 0.11900000E+05 0.49283625 14.76184455 1.50455523 0.18390725E-01 0.11950000E+05 0.47914008 14.80743034 1.50457844 0.18124009E-01 0.12000000E+05 0.46557348 14.85221839 1.50455001 0.17867853E-01 0.12050000E+05 0.45215362 14.89623362 1.50448854 0.17622456E-01 0.12100000E+05 0.43889686 14.93950216 1.50443476 0.17387513E-01 0.12150000E+05 0.42581873 14.98205146 1.50442357 0.17162374E-01 0.12200000E+05 0.41293385 15.02391029 1.50446074 0.16946362E-01 0.12250000E+05 0.40025584 15.06510870 1.50451929 0.16739027E-01 0.12300000E+05 0.38779724 15.10567781 1.50455869 0.16540164E-01 0.12350000E+05 0.37556946 15.14564963 1.50455258 0.16349659E-01 0.12400000E+05 0.36358270 15.18505679 1.50450569 0.16167293E-01 0.12450000E+05 0.35184600 15.22393235 1.50444925 0.15992651E-01 0.12500000E+05 0.34036718 15.26230966 1.50441925 0.15825190E-01 0.12550000E+05 0.32915294 15.30022228 1.50443245 0.15664424E-01 0.12600000E+05 0.31820888 15.33770401 1.50447595 0.15510125E-01 0.12650000E+05 0.30753957 15.37478898 1.50451763 0.15362324E-01 0.12700000E+05 0.29714862 15.41151182 1.50452918 0.15221102E-01 0.12750000E+05 0.28703875 15.44790772 1.50450430 0.15086365E-01 0.12800000E+05 0.27721180 15.48401251 1.50446103 0.14957724E-01 0.12850000E+05 0.26766879 15.51986266 1.50442800 0.14834521E-01 0.12900000E+05 0.25840994 15.55549516 1.50442482 0.14715920E-01 0.12950000E+05 0.24943470 15.59094732 1.50444965 0.14601068E-01 0.13000000E+05 0.24074177 15.62625657 1.50448237 0.14489207E-01 0.13050000E+05 0.23232917 15.66146014 1.50449978 0.14379682E-01 0.13100000E+05 0.22419424 15.69659493 1.50449033 0.14271861E-01 0.13150000E+05 0.21633374 15.73169723 1.50446032 0.14165066E-01 0.13200000E+05 0.20874391 15.76680268 1.50442879 0.14058586E-01 0.13250000E+05 0.20142050 15.80194615 1.50441431 0.13951704E-01 0.13300000E+05 0.19435884 15.83716175 1.50442280 0.13843696E-01 0.13350000E+05 0.18755389 15.87248281 1.50444560 0.13733812E-01 0.13400000E+05 0.18100030 15.90794179 1.50446730 0.13621275E-01 0.13450000E+05 0.17469241 15.94357022 1.50447513 0.13505315E-01 0.13500000E+05 0.16862427 15.97939842 1.50446515 0.13385222E-01 0.13550000E+05 0.16278973 16.01545518 1.50444351 0.13260400E-01 0.13600000E+05 0.15718239 16.05176731 1.50442089 0.13130389E-01 0.13650000E+05 0.15179568 16.08835920 1.50440534 0.12994861E-01 0.13700000E+05 0.14662287 16.12525226 1.50440071 0.12853602E-01 0.13750000E+05 0.14165709 16.16246456 1.50440905 0.12706482E-01 0.13800000E+05 0.13689139 16.20001051 1.50442918 0.12553439E-01 0.13850000E+05 0.13231877 16.23790063 1.50445341 0.12394470E-01 0.13900000E+05 0.12793220 16.27614155 1.50446902 0.12229624E-01 0.13950000E+05 0.12372470 16.31473607 1.50446350 0.12059008E-01 0.14000000E+05 0.11968929 16.35368335 1.50443195 0.11882768E-01 0.14050000E+05 0.11581910 16.39297912 1.50438514 0.11701102E-01 0.14100000E+05 0.11210735 16.43261602 1.50434947 0.11514283E-01 0.14150000E+05 0.10854739 16.47258391 1.50435151 0.11322678E-01 0.14200000E+05 0.10513270 16.51287016 1.50439710 0.11126745E-01 0.14250000E+05 0.10185692 16.55345995 1.50446339 0.10926996E-01 0.14300000E+05 0.09871388 16.59433651 1.50450874 0.10723952E-01 0.14350000E+05 0.09569759 16.63548134 1.50449670 0.10518102E-01 0.14400000E+05 0.09280222 16.67687432 1.50442406 0.10309894E-01 0.14450000E+05 0.09002217 16.71849384 1.50433128 0.10099741E-01 0.14500000E+05 0.08735203 16.76031685 1.50427996 0.98880478E-02 0.14550000E+05 0.08478659 16.80231890 1.50431082 0.96752223E-02 0.14600000E+05 0.08232082 16.84447424 1.50441256 0.94616877E-02 0.14650000E+05 0.07994992 16.88675585 1.50452198 0.92478772E-02 0.14700000E+05 0.07766926 16.92913555 1.50456053 0.90342264E-02 0.14750000E+05 0.07547440 16.97158411 1.50449159 0.88211554E-02 0.14800000E+05 0.07336111 17.01407131 1.50435491 0.86090434E-02 0.14850000E+05 0.07132534 17.05656611 1.50424366 0.83982156E-02 0.14900000E+05 0.06936320 17.09903673 1.50423900 0.81889418E-02 0.14950000E+05 0.06747101 17.14145072 1.50435082 0.79814463E-02 0.15000000E+05 0.06564524 17.18377510 1.50450439 0.77759253E-02 0.15050000E+05 0.06388253 17.22597642 1.50458770 0.75725613E-02 0.15100000E+05 0.06217968 17.26802090 1.50453565 0.73715357E-02 0.15150000E+05 0.06053365 17.30987452 1.50438451 0.71730292E-02 0.15200000E+05 0.05894155 17.35150317 1.50424549 0.69772149E-02 0.15250000E+05 0.05740064 17.39287283 1.50422003 0.67842501E-02 0.15300000E+05 0.05590831 17.43394977 1.50432516 0.65942685E-02 0.15350000E+05 0.05446209 17.47470072 1.50448044 0.64073754E-02 0.15400000E+05 0.05305967 17.51509310 1.50456675 0.62236500E-02 0.15450000E+05 0.05169883 17.55509525 1.50452030 0.60431563E-02 0.15500000E+05 0.05037753 17.59467658 1.50438442 0.58659578E-02 0.15550000E+05 0.04909380 17.63380777 1.50426975 0.56921239E-02 0.15600000E+05 0.04784583 17.67246095 1.50426172 0.55217231E-02 0.15650000E+05 0.04663190 17.71060982 1.50435696 0.53548147E-02 0.15700000E+05 0.04545041 17.74822981 1.50447175 0.51914473E-02 0.15750000E+05 0.04429988 17.78529816 1.50451121 0.50316659E-02 0.15800000E+05 0.04317892 17.82179407 1.50444887 0.48755094E-02 0.15850000E+05 0.04208624 17.85769873 1.50434773 0.47229998E-02 0.15900000E+05 0.04102064 17.89299546 1.50429908 0.45741403E-02 0.15950000E+05 0.03998102 17.92766970 1.50433993 0.44289292E-02 0.16000000E+05 0.03896637 17.96170908 1.50442684 0.42873756E-02 0.16050000E+05 0.03797574 17.99510340 1.50447857 0.41494929E-02 0.16100000E+05 0.03700828 18.02784462 1.50444665 0.40152772E-02 0.16150000E+05 0.03606318 18.05992678 1.50435967 0.38846977E-02 0.16200000E+05 0.03513973 18.09134596 1.50429977 0.37577076E-02 0.16250000E+05 0.03423725 18.12210015 1.50432507 0.36342623E-02 0.16300000E+05 0.03335512 18.15218916 1.50441454 0.35143224E-02 0.16350000E+05 0.03249279 18.18161448 1.50448980 0.33978421E-02 0.16400000E+05 0.03164973 18.21037918 1.50448417 0.32847635E-02 0.16450000E+05 0.03082547 18.23848776 1.50439759 0.31750238E-02 0.16500000E+05 0.03001955 18.26594600 1.50429987 0.30685661E-02 0.16550000E+05 0.02923158 18.29276086 1.50427487 0.29653363E-02 0.16600000E+05 0.02846116 18.31894032 1.50434523 0.28652702E-02 0.16650000E+05 0.02770793 18.34449321 1.50445172 0.27682885E-02 0.16700000E+05 0.02697156 18.36942915 1.50450884 0.26743070E-02 0.16750000E+05 0.02625173 18.39375833 1.50447499 0.25832514E-02 0.16800000E+05 0.02554812 18.41749143 1.50437853 0.24950583E-02 0.16850000E+05 0.02486046 18.44063950 1.50429468 0.24096621E-02 0.16900000E+05 0.02418846 18.46321385 1.50428796 0.23269883E-02 0.16950000E+05 0.02353185 18.48522595 1.50435801 0.22469611E-02 0.17000000E+05 0.02289036 18.50668738 1.50444310 0.21695147E-02 0.17050000E+05 0.02226375 18.52760974 1.50447988 0.20945910E-02 0.17100000E+05 0.02165176 18.54800459 1.50445133 0.20221254E-02 0.17150000E+05 0.02105414 18.56788341 1.50438608 0.19520411E-02 0.17200000E+05 0.02047065 18.58725753 1.50433325 0.18842614E-02 0.17250000E+05 0.01990105 18.60613812 1.50432879 0.18187239E-02 0.17300000E+05 0.01934511 18.62453614 1.50436677 0.17553780E-02 0.17350000E+05 0.01880259 18.64246237 1.50440898 0.16941699E-02 0.17400000E+05 0.01827326 18.65992735 1.50442665 0.16350331E-02 0.17450000E+05 0.01775689 18.67694141 1.50441964 0.15778964E-02 0.17500000E+05 0.01725325 18.69351465 1.50440061 0.15226976E-02 0.17550000E+05 0.01676211 18.70965698 1.50438323 0.14693860E-02 0.17600000E+05 0.01628325 18.72537808 1.50437774 0.14179124E-02 0.17650000E+05 0.01581645 18.74068745 1.50438057 0.13682204E-02 0.17700000E+05 0.01536148 18.75559441 1.50438006 0.13202494E-02 0.17750000E+05 0.01491813 18.77010812 1.50437761 0.12739439E-02 0.17800000E+05 0.01448617 18.78423757 1.50438508 0.12292569E-02 0.17850000E+05 0.01406538 18.79799159 1.50440209 0.11861428E-02 0.17900000E+05 0.01365555 18.81137890 1.50441646 0.11445497E-02 0.17950000E+05 0.01325647 18.82440805 1.50441922 0.11044209E-02 0.18000000E+05 0.01286792 18.83708751 1.50440473 0.10657037E-02 0.18050000E+05 0.01248969 18.84942559 1.50437478 0.10283545E-02 0.18100000E+05 0.01212157 18.86143047 1.50434989 0.99233527E-03 0.18150000E+05 0.01176335 18.87311024 1.50435421 0.95760485E-03 0.18200000E+05 0.01141482 18.88447284 1.50438632 0.92411406E-03 0.18250000E+05 0.01107578 18.89552611 1.50442300 0.89180905E-03 0.18300000E+05 0.01074602 18.90627778 1.50444262 0.86064012E-03 0.18350000E+05 0.01042535 18.91673543 1.50443149 0.83056808E-03 0.18400000E+05 0.01011356 18.92690653 1.50439111 0.80156318E-03 0.18450000E+05 0.00981045 18.93679841 1.50434936 0.77359778E-03 0.18500000E+05 0.00951583 18.94641825 1.50433963 0.74663911E-03 0.18550000E+05 0.00922951 18.95577311 1.50436616 0.72064776E-03 0.18600000E+05 0.00895129 18.96486987 1.50440698 0.69558151E-03 0.18650000E+05 0.00868098 18.97371528 1.50443899 0.67140032E-03 0.18700000E+05 0.00841839 18.98231591 1.50444413 0.64806875E-03 0.18750000E+05 0.00816335 18.99067817 1.50441635 0.62555590E-03 0.18800000E+05 0.00791565 18.99880827 1.50437602 0.60383505E-03 0.18850000E+05 0.00767513 19.00671228 1.50435325 0.58288358E-03 0.18900000E+05 0.00744161 19.01439609 1.50435655 0.56268192E-03 0.18950000E+05 0.00721491 19.02186542 1.50437677 0.54321040E-03 0.19000000E+05 0.00699485 19.02912584 1.50440652 0.52444492E-03 0.19050000E+05 0.00678127 19.03618274 1.50443376 0.50635459E-03 0.19100000E+05 0.00657400 19.04304134 1.50444010 0.48890404E-03 0.19150000E+05 0.00637287 19.04970673 1.50442206 0.47206053E-03 0.19200000E+05 0.00617772 19.05618380 1.50439225 0.45580093E-03 0.19250000E+05 0.00598840 19.06247733 1.50436197 0.44011289E-03 0.19300000E+05 0.00580474 19.06859192 1.50434473 0.42498848E-03 0.19350000E+05 0.00562660 19.07453206 1.50436031 0.41041523E-03 0.19400000E+05 0.00545382 19.08030210 1.50440783 0.39637203E-03 0.19450000E+05 0.00528625 19.08590625 1.50445395 0.38283244E-03 0.19500000E+05 0.00512376 19.09134855 1.50446608 0.36977167E-03 0.19550000E+05 0.00496620 19.09663292 1.50443713 0.35717077E-03 0.19600000E+05 0.00481342 19.10176312 1.50438111 0.34501548E-03 0.19650000E+05 0.00466531 19.10674276 1.50433090 0.33329264E-03 0.19700000E+05 0.00452171 19.11157533 1.50432697 0.32198791E-03 0.19750000E+05 0.00438252 19.11626417 1.50437816 0.31108599E-03 0.19800000E+05 0.00424759 19.12081252 1.50444568 0.30057148E-03 0.19850000E+05 0.00411680 19.12522346 1.50448286 0.29042917E-03 0.19900000E+05 0.00399004 19.12949999 1.50447054 0.28064454E-03 0.19950000E+05 0.00386719 19.13364498 1.50441656 0.27120508E-03 0.20000000E+05 0.00374813 19.13766123 1.50435215 0.26210130E-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 -0.006640 1.89710 2 0.1554312 -0.017728 1.35309 3 0.1597487 -0.016994 0.83314 4 0.1640662 -0.007465 0.32614 5 0.1683837 0.003756 -0.17868 6 0.1727013 0.009998 -0.68646 7 0.1770188 0.008762 -1.19242 8 0.1813363 0.002512 -1.68400 9 0.1856539 -0.003710 -2.15109 10 0.1899714 -0.005931 -2.59458 11 0.1942889 -0.003586 -3.02540 12 0.1986065 0.000777 2.82618 13 0.2029240 0.003763 2.38760 14 0.2072415 0.003528 1.94973 15 0.2115591 0.000769 1.52797 16 0.2158766 -0.002066 1.12940 17 0.2201941 -0.002686 0.74555 18 0.2245117 -0.000728 0.36050 19 0.2288292 0.001892 -0.03431 20 0.2331467 0.002604 -0.42979 21 0.2374643 0.000668 -0.80810 22 0.2417818 -0.001871 -1.16426 23 0.2460993 -0.002185 -1.51161 24 0.2504169 0.000127 -1.86674 25 0.2547344 0.002312 -2.22996 26 0.2590519 0.001624 -2.58293 27 0.2633695 -0.001125 -2.91243 28 0.2676870 -0.002348 3.05572 29 0.2720045 -0.000330 2.73626 30 0.2763221 0.002233 2.40772 31 0.2806396 0.001722 2.08733 32 0.2849571 -0.001254 1.79015 33 0.2892746 -0.002446 1.50778 34 0.2935922 -0.000038 1.22077 35 0.2979097 0.002449 0.92509 36 0.3022272 0.001196 0.63882 37 0.3065448 -0.002011 0.37487 38 0.3108623 -0.002238 0.12166 39 0.3151798 0.000957 -0.13957 40 0.3194974 0.002562 -0.40731 41 0.3238149 -0.000071 -0.66128 42 0.3281324 -0.002768 -0.89487 43 0.3324500 -0.001080 -1.12516 44 0.3367675 0.002306 -1.36654 45 0.3410850 0.001752 -1.60774 46 0.3454026 -0.001896 -1.82971 47 0.3497201 -0.002480 -2.03745 48 0.3540376 0.001060 -2.25148 49 0.3583552 0.002634 -2.47476 50 0.3626727 -0.000586 -2.68685 51 0.3669902 -0.003044 -2.87915 52 0.3713078 -0.000386 -3.06958 53 0.3756253 0.002697 3.01061 54 0.3799428 0.000652 2.80930 55 0.3842604 -0.002883 2.62799 56 0.3885779 -0.001479 2.45610 57 0.3928954 0.002326 2.27257 58 0.3972129 0.001520 2.08296 59 0.4015305 -0.002426 1.91056 60 0.4058480 -0.002133 1.75309 61 0.4101655 0.001885 1.58662 62 0.4144831 0.002058 1.40859 63 0.4188006 -0.001945 1.24422 64 0.4231181 -0.002480 1.09871 65 0.4274357 0.001457 0.94706 66 0.4317532 0.002221 0.78021 67 0.4360707 -0.001694 0.62413 68 0.4403883 -0.002652 0.48968 69 0.4447058 0.001199 0.35096 70 0.4490233 0.002235 0.19417 71 0.4533409 -0.001596 0.04659 72 0.4576584 -0.002654 -0.07690 73 0.4619759 0.001169 -0.20424 74 0.4662935 0.002209 -0.35233 75 0.4706110 -0.001537 -0.49096 76 0.4749285 -0.002346 -0.60338 77 0.4792461 0.001545 -0.72154 78 0.4835636 0.002319 -0.86328 79 0.4878811 -0.001439 -0.99283 80 0.4921987 -0.001823 -1.09416 81 0.4965162 0.002098 -1.20564 82 0.5008337 0.002340 -1.34268 83 0.5051512 -0.001404 -1.46131 84 0.5094688 -0.001054 -1.55091 85 0.5137863 0.002994 -1.65805 86 0.5181038 0.002618 -1.79002 87 0.5224214 -0.000950 -1.89351 88 0.5267389 0.000436 -1.96997 89 0.5310564 0.004633 -2.07385 90 0.5353740 0.003579 -2.19732 91 0.5396915 0.000507 -2.28119 92 0.5440090 0.003365 -2.34653 93 0.5483266 0.007756 -2.45133 ******************************************************************************** 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 0.9964667E+00 0.1082006E-01 0.2945059E+00 1 0.0000000E+00 0.0000000E+00 0.0000000E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.5317129E-05 0 21 2 -2 0.2626072E-06 0 26 2 -1 0.2376412E-05 0 32 2 0 0.3290204E-05 0 37 2 1 0.3957249E-04 0 42 2 2 0.3659657E-04 0 13 4 -4 0.1203651E-07 0 17 4 -3 0.2745917E-07 0 22 4 -2 0.1755395E-06 0 27 4 -1 0.3543862E-06 0 33 4 0 0.8611800E-05 0 38 4 1 0.3405699E-04 0 43 4 2 0.6884420E-03 0 47 4 3 0.1481538E-02 0 51 4 4 0.8741842E-03 0 7 6 -6 0.2665609E-10 0 10 6 -5 0.5936227E-10 0 14 6 -4 0.1243239E-08 0 18 6 -3 0.6550407E-08 0 23 6 -2 0.2298831E-06 0 28 6 -1 0.2000636E-06 0 34 6 0 0.1254358E-04 0 39 6 1 0.1056851E-03 0 44 6 2 0.4090096E-02 0 48 6 3 0.5947846E-01 0 52 6 4 0.8462983E+00 0 55 6 5 0.8014249E-01 0 58 6 6 0.3163826E-02 0 3 8 -8 0.3197235E-15 0 5 8 -7 0.4312269E-17 0 8 8 -6 0.2794133E-16 0 11 8 -5 0.2888873E-14 0 15 8 -4 0.2101777E-17 0 19 8 -3 0.5746731E-18 0 24 8 -2 0.4994237E-10 0 29 8 -1 0.1016070E-18 0 35 8 0 0.1527291E-17 0 40 8 1 0.2981431E-09 0 45 8 2 0.1818944E-17 0 49 8 3 0.3978394E-18 0 53 8 4 0.8214156E-07 0 56 8 5 0.1590244E-17 0 59 8 6 0.1998813E-16 0 61 8 7 0.4246634E-09 0 63 8 8 0.8021218E-18 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 0.2828205E-16 1 0.3427981E-06 2 0.2109946E-05 3 0.2115224E-05 4 0.4695682E-06 5 0.1825673E-06 6 0.3904179E-07 7 0.5463164E-07 8 0.3351165E-08 9 0.0000000E+00 v, j, mj = 0 2 -2 0 0.3762883E-08 1 0.1221327E-08 2 0.2572164E-07 3 0.7749446E-07 4 0.7949958E-07 5 0.2584539E-07 6 0.2385798E-07 7 0.1605717E-07 8 0.9146771E-08 9 0.0000000E+00 v, j, mj = 0 2 -1 0 0.1035069E-16 1 0.3827730E-07 2 0.6521533E-06 3 0.1108541E-05 4 0.3069460E-06 5 0.1032059E-06 6 0.1012915E-06 7 0.3418094E-07 8 0.3181691E-07 9 0.0000000E+00 v, j, mj = 0 2 0 0 0.5614866E-15 1 0.3875474E-06 2 0.5158972E-06 3 0.1867626E-05 4 0.3498160E-06 5 0.9501385E-07 6 0.6433028E-07 7 0.9288247E-08 8 0.6856371E-09 9 0.0000000E+00 v, j, mj = 0 2 1 0 0.4693509E-07 1 0.2400697E-05 2 0.2612138E-04 3 0.6934003E-05 4 0.3165906E-05 5 0.3225941E-06 6 0.5385201E-06 7 0.3184142E-07 8 0.1061251E-07 9 0.0000000E+00 v, j, mj = 0 2 2 0 0.5280643E-15 1 0.1969037E-04 2 0.9496832E-05 3 0.4174324E-05 4 0.1990330E-05 5 0.1104121E-05 6 0.1269386E-06 7 0.8934507E-08 8 0.4725108E-08 9 0.0000000E+00 v, j, mj = 0 4 -4 0 0.1925180E-17 1 0.3199812E-09 2 0.1115199E-08 3 0.2163435E-09 4 0.5345846E-09 5 0.4885329E-09 6 0.3181992E-08 7 0.6179880E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.8179135E-17 1 0.8507409E-08 2 0.5722145E-09 3 0.4234271E-08 4 0.3052244E-08 5 0.2676527E-08 6 0.4271586E-08 7 0.4144923E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.3036077E-07 1 0.8442279E-08 2 0.2199820E-07 3 0.3075735E-07 4 0.2127353E-07 5 0.3782187E-07 6 0.2235803E-07 7 0.2527470E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.6204108E-16 1 0.1825440E-07 2 0.2505614E-07 3 0.2043623E-06 4 0.8261455E-07 5 0.1132018E-07 6 0.1052462E-07 7 0.2253980E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.2840553E-15 1 0.1003083E-05 2 0.5320918E-05 3 0.1631126E-05 4 0.2775410E-06 5 0.2875830E-06 6 0.7470609E-07 7 0.1684291E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.4789169E-07 1 0.9616180E-06 2 0.1647811E-04 3 0.1350236E-04 4 0.2727941E-05 5 0.3032633E-06 6 0.2135730E-07 7 0.1444581E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.8334989E-15 1 0.2811669E-03 2 0.2573663E-03 3 0.1317623E-03 4 0.1624263E-04 5 0.1824230E-05 6 0.2310767E-07 7 0.5654752E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.6346560E-16 1 0.2607402E-03 2 0.7275402E-03 3 0.4325687E-03 4 0.5948882E-04 5 0.1123971E-05 6 0.6926616E-07 7 0.7001415E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.1415433E-03 1 0.5512323E-03 2 0.8460911E-04 3 0.5995492E-04 4 0.3493261E-04 5 0.1877563E-05 6 0.2022604E-07 7 0.1415899E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.1004256E-15 1 0.2401258E-13 2 0.2553565E-12 3 0.1142925E-11 4 0.7327478E-11 5 0.1790621E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.9021393E-14 1 0.7975249E-12 2 0.3100342E-11 3 0.3303855E-11 4 0.1584479E-10 5 0.3630674E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.7273631E-16 1 0.1359603E-10 2 0.2432419E-10 3 0.9243840E-10 4 0.6784366E-09 5 0.4344433E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.2048376E-17 1 0.3936483E-09 2 0.3334688E-08 3 0.1844527E-08 4 0.5751593E-09 5 0.4023842E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2419124E-07 1 0.2802802E-07 2 0.8377005E-07 3 0.1766990E-07 4 0.6019280E-07 5 0.1603110E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1453474E-16 1 0.3988662E-07 2 0.9224537E-07 3 0.7422219E-08 4 0.3298904E-07 5 0.2752038E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.7541494E-17 1 0.3269406E-05 2 0.6104111E-05 3 0.1481088E-05 4 0.1477171E-05 5 0.2118078E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2487835E-06 1 0.1765453E-04 2 0.7188557E-04 3 0.1491155E-04 4 0.8439328E-06 5 0.1407682E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.5198977E-16 1 0.1899880E-02 2 0.1970565E-02 3 0.2093070E-03 4 0.1006823E-04 5 0.2761363E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1596719E-16 1 0.3526476E-01 2 0.2253172E-01 3 0.1660982E-02 4 0.2089699E-04 5 0.9615351E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.2100714E+00 1 0.5035179E+00 2 0.1285978E+00 3 0.4081432E-02 4 0.2937272E-04 5 0.3851672E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.5065677E-16 1 0.3326568E-01 2 0.4217631E-01 3 0.4637134E-02 4 0.6315443E-04 5 0.2078102E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.2549559E-16 1 0.1780150E-03 2 0.2342859E-02 3 0.6214525E-03 4 0.2132827E-04 5 0.1717976E-06 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3197235E-15 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.4312269E-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 0.2794133E-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 0.2888873E-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 -4 0 0.2101777E-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 -3 0 0.5746731E-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 -2 0 0.4994237E-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 -1 0 0.1016070E-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 0.1527291E-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 1 0 0.2981431E-09 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1818944E-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 3 0 0.3978394E-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 4 0 0.8214156E-07 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 0.1590244E-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 0.1998813E-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 0.4246634E-09 1 0.0000000E+00 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.8021218E-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 sum of the probabilities = 0.9964667 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.294506 average diffraction energy (ev) = 0.010820 the reaction probability = 0.3533274D-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 0.1001385E+01 0.1733434E-01 0.2937753E+00 1 0.1132669E-07 0.1691868E-01 0.1858966E-02 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.2135391E-04 0 21 2 -2 0.1243063E-05 0 26 2 -1 0.1304255E-04 0 32 2 0 0.1813936E-04 0 37 2 1 0.1429574E-03 0 42 2 2 0.1274613E-03 0 13 4 -4 0.1969053E-07 0 17 4 -3 0.1131366E-06 0 22 4 -2 0.8088646E-06 0 27 4 -1 0.2881827E-05 0 33 4 0 0.5872444E-04 0 38 4 1 0.2428406E-03 0 43 4 2 0.2140517E-02 0 47 4 3 0.3170798E-02 0 51 4 4 0.1913434E-02 0 7 6 -6 0.8876206E-10 0 10 6 -5 0.2766219E-09 0 14 6 -4 0.2041564E-08 0 18 6 -3 0.1683778E-07 0 23 6 -2 0.2424370E-06 0 28 6 -1 0.8186635E-06 0 34 6 0 0.3000355E-04 0 39 6 1 0.5071714E-03 0 44 6 2 0.9533023E-02 0 48 6 3 0.1167241E+00 0 52 6 4 0.6882994E+00 0 55 6 5 0.1623223E+00 0 58 6 6 0.1610051E-01 0 3 8 -8 0.5987795E-13 0 5 8 -7 0.8874829E-13 0 8 8 -6 0.2929107E-12 0 11 8 -5 0.5153117E-11 0 15 8 -4 0.4453763E-10 0 19 8 -3 0.4601170E-09 0 24 8 -2 0.1295162E-08 0 29 8 -1 0.2333167E-08 0 35 8 0 0.1611508E-07 0 40 8 1 0.7234329E-07 0 45 8 2 0.6868444E-06 0 49 8 3 0.2177232E-05 0 53 8 4 0.5908656E-05 0 56 8 5 0.1796311E-05 0 59 8 6 0.1757876E-05 0 61 8 7 0.1723561E-06 0 63 8 8 0.2190545E-06 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.1084023E-07 1 21 2 -2 0.1748788E-10 1 26 2 -1 0.5045890E-11 1 32 2 0 0.8448083E-10 1 37 2 1 0.2235872E-09 1 42 2 2 0.1558625E-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 0.1235011E-14 1 0.1848103E-05 2 0.1114839E-04 3 0.7386682E-05 4 0.6567837E-06 5 0.1929812E-06 6 0.9149270E-07 7 0.1631631E-07 8 0.1126884E-07 9 0.1894598E-08 v, j, mj = 0 2 -2 0 0.5466574E-07 1 0.6480619E-08 2 0.1544231E-06 3 0.5935330E-06 4 0.3145396E-06 5 0.6561461E-07 6 0.3006136E-07 7 0.1295152E-07 8 0.1042240E-07 9 0.3709959E-09 v, j, mj = 0 2 -1 0 0.6035878E-15 1 0.1746899E-06 2 0.4303490E-05 3 0.7230448E-05 4 0.1073768E-05 5 0.1379369E-06 6 0.8093444E-07 7 0.1817972E-07 8 0.2203301E-07 9 0.1067117E-08 v, j, mj = 0 2 0 0 0.4605467E-14 1 0.8065486E-07 2 0.4319191E-05 3 0.1155634E-04 4 0.1896090E-05 5 0.2351771E-06 6 0.3982206E-07 7 0.6178171E-08 8 0.5847433E-08 9 0.5285999E-10 v, j, mj = 0 2 1 0 0.1705965E-06 1 0.1415115E-04 2 0.1087653E-03 3 0.1396447E-04 4 0.4860348E-05 5 0.5942623E-06 6 0.4052904E-06 7 0.3426849E-07 8 0.1152482E-07 9 0.2352445E-09 v, j, mj = 0 2 2 0 0.1290614E-13 1 0.7951442E-04 2 0.2795854E-04 3 0.1386430E-04 4 0.2751871E-05 5 0.2963121E-05 6 0.3703331E-06 7 0.2906155E-07 8 0.9308911E-08 9 0.3868790E-09 v, j, mj = 0 4 -4 0 0.1166465E-15 1 0.2107212E-08 2 0.6540176E-08 3 0.7848378E-09 4 0.2810664E-08 5 0.2073386E-08 6 0.1890972E-08 7 0.2605333E-08 8 0.8779491E-09 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.2945751E-15 1 0.6142888E-07 2 0.1480384E-08 3 0.2718843E-07 4 0.1010498E-07 5 0.3530342E-08 6 0.3649712E-08 7 0.5124662E-08 8 0.6292275E-09 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.1762072E-06 1 0.7861948E-08 2 0.1268990E-06 3 0.3584728E-06 4 0.8430301E-07 5 0.3409268E-07 6 0.1717208E-07 7 0.3445216E-08 8 0.4107443E-09 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.1007763E-14 1 0.4810354E-07 2 0.5501397E-06 3 0.1719984E-05 4 0.5245656E-06 5 0.2308662E-07 6 0.8562882E-08 7 0.6442639E-08 8 0.9419801E-09 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.1221930E-13 1 0.8985694E-05 2 0.3273760E-04 3 0.1380593E-04 4 0.2904181E-05 5 0.2189924E-06 6 0.6187008E-07 7 0.8067092E-08 8 0.2103391E-08 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.1497999E-06 1 0.7489340E-05 2 0.1221026E-03 3 0.9173624E-04 4 0.1937620E-04 5 0.1926865E-05 6 0.3404151E-07 7 0.2366318E-07 8 0.1840967E-08 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.2152033E-13 1 0.8579390E-03 2 0.6643923E-03 3 0.5239444E-03 4 0.8841172E-04 5 0.5677032E-05 6 0.1327576E-06 7 0.1508895E-07 8 0.4659395E-08 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.8070667E-15 1 0.8363568E-03 2 0.8463032E-03 3 0.1219391E-02 4 0.2583388E-03 5 0.1028402E-04 6 0.9558948E-07 7 0.2759362E-07 8 0.4389710E-09 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.9647131E-04 1 0.1294641E-02 2 0.4477617E-03 3 0.1697436E-04 4 0.4806035E-04 5 0.9347621E-05 6 0.1670338E-06 7 0.9522956E-08 8 0.8214741E-09 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.2134400E-16 1 0.3148394E-12 2 0.4325544E-12 3 0.6348399E-11 4 0.1546559E-10 5 0.3481391E-10 6 0.3138675E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2969367E-12 1 0.4252774E-11 2 0.1244743E-11 3 0.1286687E-10 4 0.1774845E-10 5 0.1223981E-09 6 0.1178140E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.8678248E-16 1 0.5688878E-10 2 0.1500445E-09 3 0.6693389E-09 4 0.6079230E-09 5 0.4544826E-09 6 0.1028858E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.5488484E-16 1 0.9590126E-09 2 0.2989292E-08 3 0.1009161E-07 4 0.1153736E-08 5 0.1201982E-08 6 0.4421479E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.7567874E-08 1 0.2370548E-07 2 0.9352465E-07 3 0.5183682E-07 4 0.5663835E-07 5 0.6066593E-08 6 0.3097282E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.3196826E-16 1 0.1225234E-06 2 0.4068578E-06 3 0.1127433E-06 4 0.6551048E-07 5 0.9452052E-07 6 0.1650804E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.6254429E-15 1 0.5680618E-05 2 0.1540187E-04 3 0.7497998E-05 4 0.1317985E-05 5 0.7449991E-07 6 0.3058385E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.3429263E-06 1 0.6744468E-04 2 0.3236616E-03 3 0.1098124E-03 4 0.5285157E-05 5 0.5564700E-06 6 0.6811946E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.3242505E-14 1 0.2134478E-02 2 0.6071437E-02 3 0.1270822E-02 4 0.5609957E-04 5 0.1452119E-06 6 0.4141678E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1347979E-15 1 0.5292843E-01 2 0.5665933E-01 3 0.6968672E-02 4 0.1668537E-03 5 0.8209796E-06 6 0.1813078E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1215317E+00 1 0.3687125E+00 2 0.1870845E+00 3 0.1074873E-01 4 0.2201960E-03 5 0.1623742E-05 6 0.1694221E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1293244E-15 1 0.2563811E-01 2 0.1075617E+00 3 0.2811034E-01 4 0.1006811E-02 5 0.5267025E-05 6 0.2808983E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.1908143E-14 1 0.2567421E-03 2 0.8674986E-02 3 0.6670588E-02 4 0.4956674E-03 5 0.2490205E-05 6 0.3847435E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3322222E-14 1 0.2334687E-14 2 0.3737451E-13 3 0.1684653E-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 0.8342131E-16 1 0.1287935E-13 2 0.5707802E-13 3 0.1870749E-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 0.5271328E-17 1 0.3553074E-13 2 0.2434179E-12 3 0.1395682E-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 0.2426499E-13 1 0.1580929E-11 2 0.2706410E-11 3 0.8415125E-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 -4 0 0.8586370E-16 1 0.5134177E-11 2 0.1714287E-10 3 0.2226051E-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 -3 0 0.1383918E-17 1 0.2546089E-09 2 0.1422011E-09 3 0.6330705E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.9300484E-10 1 0.2576501E-09 2 0.9113561E-09 3 0.3315083E-10 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.1584883E-16 1 0.4052525E-09 2 0.1065698E-08 3 0.8622164E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.1498126E-16 1 0.7752502E-08 2 0.5899630E-08 3 0.2462944E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2535274E-08 1 0.8360078E-08 2 0.3566861E-07 3 0.2577932E-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 2 0 0.6833686E-17 1 0.5969945E-06 2 0.4296399E-07 3 0.4688592E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.8069671E-17 1 0.1024212E-05 2 0.1112103E-05 3 0.4091691E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.3977007E-05 1 0.9727725E-06 2 0.9067278E-06 3 0.5214816E-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 0.1801827E-16 1 0.8504050E-06 2 0.8864189E-06 3 0.5948680E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.4796599E-16 1 0.1252892E-05 2 0.4397054E-06 3 0.6527881E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4863524E-08 1 0.9982030E-07 2 0.5630811E-07 3 0.1136415E-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 0.7191678E-16 1 0.1217740E-06 2 0.8932781E-07 3 0.7952641E-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 0 0 0 0.1084700E-17 1 0.5371601E-08 2 0.5468626E-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 0.1592204E-10 1 0.1565836E-11 2 0.0000000E+00 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.2857717E-18 1 0.5045890E-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 0.9128965E-18 1 0.8448083E-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 0.1850054E-09 1 0.3858178E-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 0.1277636E-16 1 0.1558625E-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 = 1.0013848 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.293775 average diffraction energy (ev) = 0.017334 the reaction probability = -0.1384786D-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 0.9986154E+00 0.2545507E-01 0.2924227E+00 1 0.1797141E-06 0.2281013E-01 0.3645894E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.8587264E-04 0 21 2 -2 0.6646556E-05 0 26 2 -1 0.6101177E-04 0 32 2 0 0.6172554E-04 0 37 2 1 0.4025324E-03 0 42 2 2 0.3632409E-03 0 13 4 -4 0.9099676E-07 0 17 4 -3 0.8330408E-06 0 22 4 -2 0.6395763E-05 0 27 4 -1 0.2471126E-04 0 33 4 0 0.2981780E-03 0 38 4 1 0.1032827E-02 0 43 4 2 0.4692570E-02 0 47 4 3 0.6248427E-02 0 51 4 4 0.3065513E-02 0 7 6 -6 0.3045299E-09 0 10 6 -5 0.6259226E-09 0 14 6 -4 0.1054152E-07 0 18 6 -3 0.4851377E-07 0 23 6 -2 0.4355979E-06 0 28 6 -1 0.5773155E-05 0 34 6 0 0.1147068E-03 0 39 6 1 0.2147422E-02 0 44 6 2 0.2361376E-01 0 48 6 3 0.1801324E+00 0 52 6 4 0.4781017E+00 0 55 6 5 0.2323580E+00 0 58 6 6 0.6570650E-01 0 3 8 -8 0.2042173E-11 0 5 8 -7 0.1348945E-11 0 8 8 -6 0.5258623E-11 0 11 8 -5 0.3672880E-10 0 15 8 -4 0.6078566E-09 0 19 8 -3 0.2195472E-08 0 24 8 -2 0.1338470E-07 0 29 8 -1 0.2308432E-07 0 35 8 0 0.9715493E-07 0 40 8 1 0.4918050E-06 0 45 8 2 0.2208303E-05 0 49 8 3 0.1226593E-04 0 53 8 4 0.5240772E-04 0 56 8 5 0.1175832E-04 0 59 8 6 0.3440550E-05 0 61 8 7 0.6355619E-06 0 63 8 8 0.7310851E-06 0 1 10 -10 0.0000000E+00 0 2 10 -9 0.0000000E+00 0 4 10 -8 0.0000000E+00 0 6 10 -7 0.0000000E+00 0 9 10 -6 0.0000000E+00 0 12 10 -5 0.0000000E+00 0 16 10 -4 0.0000000E+00 0 20 10 -3 0.0000000E+00 0 25 10 -2 0.0000000E+00 0 30 10 -1 0.0000000E+00 0 36 10 0 0.0000000E+00 0 41 10 1 0.0000000E+00 0 46 10 2 0.0000000E+00 0 50 10 3 0.0000000E+00 0 54 10 4 0.0000000E+00 0 57 10 5 0.0000000E+00 0 60 10 6 0.0000000E+00 0 62 10 7 0.0000000E+00 0 64 10 8 0.0000000E+00 0 65 10 9 0.0000000E+00 0 66 10 10 0.0000000E+00 1 31 0 0 0.2833611E-07 1 21 2 -2 0.7763361E-09 1 26 2 -1 0.5253452E-08 1 32 2 0 0.1669753E-07 1 37 2 1 0.3009823E-07 1 42 2 2 0.9855245E-07 1 13 4 -4 0.0000000E+00 1 17 4 -3 0.0000000E+00 1 22 4 -2 0.0000000E+00 1 27 4 -1 0.0000000E+00 1 33 4 0 0.0000000E+00 1 38 4 1 0.0000000E+00 1 43 4 2 0.0000000E+00 1 47 4 3 0.0000000E+00 1 51 4 4 0.0000000E+00 1 7 6 -6 0.0000000E+00 1 10 6 -5 0.0000000E+00 1 14 6 -4 0.0000000E+00 1 18 6 -3 0.0000000E+00 1 23 6 -2 0.0000000E+00 1 28 6 -1 0.0000000E+00 1 34 6 0 0.0000000E+00 1 39 6 1 0.0000000E+00 1 44 6 2 0.0000000E+00 1 48 6 3 0.0000000E+00 1 52 6 4 0.0000000E+00 1 55 6 5 0.0000000E+00 1 58 6 6 0.0000000E+00 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.1177540E-13 1 0.6283997E-05 2 0.5146084E-04 3 0.2639464E-04 4 0.1099574E-05 5 0.3241572E-06 6 0.2333149E-06 7 0.5832651E-07 8 0.1438537E-07 9 0.3406867E-08 v, j, mj = 0 2 -2 0 0.3601497E-06 1 0.7905504E-07 2 0.1153480E-05 3 0.3714406E-05 4 0.1061028E-05 5 0.1815147E-06 6 0.5278374E-07 7 0.2949553E-07 8 0.9421284E-08 9 0.5222422E-08 v, j, mj = 0 2 -1 0 0.8835154E-14 1 0.6817897E-06 2 0.2393644E-04 3 0.3424739E-04 4 0.1822304E-05 5 0.1860415E-06 6 0.8691232E-07 7 0.2375958E-07 8 0.2244916E-07 9 0.4687116E-08 v, j, mj = 0 2 0 0 0.2722946E-13 1 0.1130676E-06 2 0.2217811E-04 3 0.3617978E-04 4 0.2638412E-05 5 0.5203554E-06 6 0.7963088E-07 7 0.1045456E-07 8 0.3993054E-08 9 0.1738444E-08 v, j, mj = 0 2 1 0 0.5907952E-06 1 0.6009846E-04 2 0.3179795E-03 3 0.1603394E-04 4 0.6330699E-05 5 0.1117779E-05 6 0.3313801E-06 7 0.4125801E-07 8 0.6792506E-08 9 0.1771186E-08 v, j, mj = 0 2 2 0 0.1717160E-12 1 0.2297409E-03 2 0.5980941E-04 3 0.5567330E-04 4 0.7875236E-05 5 0.7886391E-05 6 0.2085403E-05 7 0.1416861E-06 8 0.2297893E-07 9 0.5566159E-08 v, j, mj = 0 4 -4 0 0.3580802E-16 1 0.2806147E-07 2 0.2841217E-07 3 0.1103243E-07 4 0.1350110E-07 5 0.3288787E-08 6 0.2418418E-08 7 0.2556361E-08 8 0.1726034E-08 9 0.0000000E+00 v, j, mj = 0 4 -3 0 0.2011325E-14 1 0.3785815E-06 2 0.3555080E-07 3 0.3110003E-06 4 0.8583653E-07 5 0.8979892E-08 6 0.5536702E-08 7 0.4012562E-08 8 0.3542495E-08 9 0.0000000E+00 v, j, mj = 0 4 -2 0 0.9467622E-06 1 0.1134260E-07 2 0.1050569E-05 3 0.3674359E-05 4 0.6300349E-06 5 0.6109499E-07 6 0.1245442E-07 7 0.6959819E-08 8 0.2185501E-08 9 0.0000000E+00 v, j, mj = 0 4 -1 0 0.8935568E-14 1 0.1595178E-06 2 0.6039473E-05 3 0.1498817E-04 4 0.3395917E-05 5 0.1053700E-06 6 0.1436985E-07 7 0.5474690E-08 8 0.2965907E-08 9 0.0000000E+00 v, j, mj = 0 4 0 0 0.1586130E-12 1 0.3679997E-04 2 0.1681866E-03 3 0.7572278E-04 4 0.1631294E-04 5 0.1067655E-05 6 0.5627462E-07 7 0.2004589E-07 8 0.1170843E-07 9 0.0000000E+00 v, j, mj = 0 4 1 0 0.2658037E-06 1 0.4684634E-04 2 0.5686753E-03 3 0.3379998E-03 4 0.7217781E-04 5 0.6707431E-05 6 0.1370599E-06 7 0.1098176E-07 8 0.6836416E-08 9 0.0000000E+00 v, j, mj = 0 4 2 0 0.1525732E-12 1 0.1989609E-02 2 0.1039102E-02 3 0.1333103E-02 4 0.3097210E-03 5 0.2043673E-04 6 0.5644695E-06 7 0.2716932E-07 8 0.6173820E-08 9 0.0000000E+00 v, j, mj = 0 4 3 0 0.5449100E-14 1 0.3246543E-02 2 0.4514124E-03 3 0.1926464E-02 4 0.5891752E-03 5 0.3429758E-04 6 0.4816002E-06 7 0.3370423E-07 8 0.1866147E-07 9 0.0000000E+00 v, j, mj = 0 4 4 0 0.2743075E-03 1 0.1850079E-02 2 0.6903523E-03 3 0.7135055E-04 4 0.1131698E-03 5 0.6310127E-04 6 0.3089765E-05 7 0.4027284E-07 8 0.2281840E-07 9 0.0000000E+00 v, j, mj = 0 6 -6 0 0.4403815E-15 1 0.2551934E-11 2 0.3207568E-11 3 0.7224598E-11 4 0.2089468E-10 5 0.5522914E-10 6 0.1537488E-09 7 0.6167273E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.9410504E-11 1 0.2027347E-10 2 0.2020856E-10 3 0.2189215E-10 4 0.7344290E-10 5 0.2823868E-09 6 0.1723137E-09 7 0.2599462E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2781720E-15 1 0.3137594E-08 2 0.1424849E-08 3 0.3241812E-08 4 0.1450944E-08 5 0.4207980E-09 6 0.8484083E-09 7 0.1710994E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.7424376E-15 1 0.7061814E-08 2 0.2913546E-08 3 0.3180622E-07 4 0.3046145E-08 5 0.2526367E-08 6 0.1004461E-08 7 0.1552095E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.4764466E-07 1 0.2053341E-07 2 0.1142280E-06 3 0.1591059E-06 4 0.7888981E-07 5 0.9705886E-08 6 0.5284052E-08 7 0.2061415E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1547337E-14 1 0.3824757E-06 2 0.2814768E-05 3 0.2061526E-05 4 0.4219731E-06 5 0.7808272E-07 6 0.1302774E-07 7 0.1301618E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1913727E-13 1 0.7588357E-05 2 0.5587634E-04 3 0.4667016E-04 4 0.4302766E-05 5 0.2324157E-06 6 0.3407860E-07 7 0.2659548E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.4703949E-06 1 0.2616512E-03 2 0.1288825E-02 3 0.5566371E-03 4 0.3883111E-04 5 0.9498834E-06 6 0.5480535E-07 7 0.2230779E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.9744073E-13 1 0.3034879E-02 2 0.1593559E-01 3 0.4388775E-02 4 0.2522046E-03 5 0.2243394E-05 6 0.7003179E-07 7 0.2102110E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1376794E-14 1 0.6630579E-01 2 0.9770426E-01 3 0.1552133E-01 4 0.5957962E-03 5 0.5155873E-05 6 0.9473235E-07 7 0.5187157E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1106526E+00 1 0.2027291E+00 2 0.1522963E+00 3 0.1148444E-01 4 0.9151503E-03 5 0.2356835E-04 6 0.5086151E-06 7 0.7662811E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.2925845E-14 1 0.6917502E-02 2 0.1380635E+00 3 0.8071292E-01 4 0.6583798E-02 5 0.7999209E-04 6 0.2266419E-06 7 0.8545390E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.6401537E-13 1 0.1344799E-02 2 0.1978547E-01 3 0.3721193E-01 4 0.7199392E-02 5 0.1643497E-03 6 0.5493313E-06 7 0.1403402E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.2121045E-13 1 0.2036892E-12 2 0.3291080E-12 3 0.1168729E-11 4 0.3194368E-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 0.6343345E-16 1 0.1734196E-13 2 0.5277055E-12 3 0.2832669E-12 4 0.5205677E-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 0.4046838E-16 1 0.2780324E-12 2 0.7258909E-12 3 0.3580454E-11 4 0.6742053E-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 0.2633627E-12 1 0.1606887E-10 2 0.2304113E-11 3 0.1167275E-10 4 0.6419713E-11 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.7498087E-16 1 0.5895321E-10 2 0.1413565E-09 3 0.3148912E-09 4 0.9265564E-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 -3 0 0.3499042E-17 1 0.7762754E-10 2 0.1189271E-08 3 0.6614698E-09 4 0.2671042E-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 -2 0 0.7955832E-09 1 0.1695583E-08 2 0.8798234E-08 3 0.1330684E-08 4 0.7646130E-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 0.4164300E-17 1 0.6751006E-09 2 0.2403608E-08 3 0.1697776E-07 4 0.3027860E-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 0 0 0.1831432E-16 1 0.8571336E-08 2 0.2312185E-07 3 0.4763687E-07 4 0.1782488E-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 1 0 0.6295499E-08 1 0.1527413E-07 2 0.1214883E-06 3 0.3216328E-06 4 0.2711434E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2499514E-16 1 0.9229074E-06 2 0.9682395E-06 3 0.2541087E-06 4 0.6304729E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.2896340E-17 1 0.6057894E-05 2 0.5743242E-05 3 0.4357709E-06 4 0.2901877E-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 0.3302947E-04 1 0.1662707E-04 2 0.2459058E-05 3 0.2408390E-06 4 0.5128238E-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 0.1869671E-16 1 0.5282658E-05 2 0.5909753E-05 3 0.5531139E-06 4 0.1279325E-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 0.3721153E-17 1 0.1510386E-05 2 0.1681332E-05 3 0.1647144E-06 4 0.8411885E-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 0.1611267E-07 1 0.3293857E-07 2 0.3143163E-06 3 0.2653896E-06 4 0.6804694E-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 8 0 0.1315548E-16 1 0.3122232E-07 2 0.4674654E-06 3 0.1916584E-06 4 0.4073897E-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 0 0 0 0.3237608E-16 1 0.2507917E-08 2 0.1496579E-08 3 0.2419540E-07 4 0.1362189E-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 0.5378798E-10 1 0.7253921E-11 2 0.5976170E-09 3 0.1176772E-09 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.1215902E-16 1 0.1092250E-08 2 0.3773360E-08 3 0.3878431E-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 0.2607387E-17 1 0.9991776E-08 2 0.6628284E-08 3 0.7746839E-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 0.1984209E-08 1 0.1398947E-07 2 0.1087934E-07 3 0.3245212E-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 2 2 0 0.5415267E-16 1 0.6664406E-07 2 0.3130935E-07 3 0.5990502E-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 = 0.9986156 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.292423 average diffraction energy (ev) = 0.025455 the reaction probability = 0.1384418D-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 0.9986981E+00 0.3415085E-01 0.2902673E+00 1 0.4052371E-06 0.3815832E-01 0.5558251E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.3000681E-03 0 21 2 -2 0.2653601E-04 0 26 2 -1 0.2153339E-03 0 32 2 0 0.1319685E-03 0 37 2 1 0.1018178E-02 0 42 2 2 0.8701103E-03 0 13 4 -4 0.5750666E-06 0 17 4 -3 0.5969860E-05 0 22 4 -2 0.4592910E-04 0 27 4 -1 0.1544392E-03 0 33 4 0 0.1109074E-02 0 38 4 1 0.2863772E-02 0 43 4 2 0.7327950E-02 0 47 4 3 0.1122552E-01 0 51 4 4 0.4651944E-02 0 7 6 -6 0.7096291E-09 0 10 6 -5 0.3296754E-08 0 14 6 -4 0.7770506E-07 0 18 6 -3 0.2592470E-06 0 23 6 -2 0.2419291E-05 0 28 6 -1 0.4430748E-04 0 34 6 0 0.5521899E-03 0 39 6 1 0.7313562E-02 0 44 6 2 0.5067033E-01 0 48 6 3 0.2086426E+00 0 52 6 4 0.3127755E+00 0 55 6 5 0.2333418E+00 0 58 6 6 0.1549052E+00 0 3 8 -8 0.1228471E-10 0 5 8 -7 0.9632790E-11 0 8 8 -6 0.2121344E-10 0 11 8 -5 0.1484348E-09 0 15 8 -4 0.1792326E-08 0 19 8 -3 0.6979839E-08 0 24 8 -2 0.1146017E-07 0 29 8 -1 0.3752838E-07 0 35 8 0 0.2988118E-06 0 40 8 1 0.2823735E-05 0 45 8 2 0.1724557E-04 0 49 8 3 0.7220903E-04 0 53 8 4 0.3249740E-03 0 56 8 5 0.5325666E-04 0 59 8 6 0.2769901E-04 0 61 8 7 0.1850936E-05 0 63 8 8 0.1953808E-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 0.4953747E-07 1 21 2 -2 0.4837189E-08 1 26 2 -1 0.9244037E-08 1 32 2 0 0.2324339E-07 1 37 2 1 0.6029110E-07 1 42 2 2 0.1864325E-06 1 13 4 -4 0.1196398E-11 1 17 4 -3 0.2584809E-10 1 22 4 -2 0.1094506E-08 1 27 4 -1 0.1663092E-09 1 33 4 0 0.7346066E-08 1 38 4 1 0.1045657E-08 1 43 4 2 0.3999545E-08 1 47 4 3 0.1856654E-07 1 51 4 4 0.3940576E-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 0.3746880E-13 1 0.1199707E-04 2 0.1534091E-03 3 0.1139082E-03 4 0.1723680E-04 5 0.2515713E-05 6 0.8399556E-06 7 0.1337024E-06 8 0.2227720E-07 9 0.5238008E-08 v, j, mj = 0 2 -2 0 0.1191116E-05 1 0.1130366E-05 2 0.5673176E-05 3 0.1693276E-04 4 0.1043239E-05 5 0.4021858E-06 6 0.9770224E-07 7 0.5196223E-07 8 0.8163728E-08 9 0.5341511E-08 v, j, mj = 0 2 -1 0 0.3817174E-13 1 0.2165179E-05 2 0.1010358E-03 3 0.1101209E-03 4 0.1453817E-05 5 0.3952755E-06 6 0.1107223E-06 7 0.3482666E-07 8 0.1306425E-07 9 0.4268781E-08 v, j, mj = 0 2 0 0 0.7041919E-13 1 0.2988843E-05 2 0.7197513E-04 3 0.5457383E-04 4 0.9217835E-06 5 0.1042295E-05 6 0.4061526E-06 7 0.4572028E-07 8 0.7933330E-08 9 0.6803433E-08 v, j, mj = 0 2 1 0 0.1097613E-05 1 0.1562634E-03 2 0.7148595E-03 3 0.1042300E-03 4 0.3334824E-04 5 0.7137338E-05 6 0.1166723E-05 7 0.6346706E-07 8 0.6981819E-08 9 0.4653769E-08 v, j, mj = 0 2 2 0 0.9514718E-12 1 0.4561701E-03 2 0.1097751E-03 3 0.1904857E-03 4 0.5086731E-04 5 0.4125127E-04 6 0.1964671E-04 7 0.1808797E-05 8 0.8148875E-07 9 0.2372932E-07 v, j, mj = 0 4 -4 0 0.3016992E-14 1 0.3410235E-06 2 0.4469405E-07 3 0.9266232E-07 4 0.6640253E-07 5 0.1612237E-07 6 0.4527675E-08 7 0.3465252E-08 8 0.4505761E-08 9 0.1663172E-08 v, j, mj = 0 4 -3 0 0.6315662E-14 1 0.1758835E-05 2 0.4427760E-06 3 0.2934645E-05 4 0.7974305E-06 5 0.2398916E-07 6 0.5684057E-08 7 0.3584838E-08 8 0.2496239E-08 9 0.4194673E-09 v, j, mj = 0 4 -2 0 0.4902425E-05 1 0.1085225E-06 2 0.9397726E-05 3 0.2790969E-04 4 0.3458958E-05 5 0.1332426E-06 6 0.9151241E-08 7 0.6623746E-08 8 0.1789350E-08 9 0.9776146E-09 v, j, mj = 0 4 -1 0 0.5009494E-13 1 0.1495475E-05 2 0.4920641E-04 3 0.9152133E-04 4 0.1192172E-04 5 0.2577047E-06 6 0.2241274E-07 7 0.1016212E-07 8 0.3480980E-08 9 0.4844301E-09 v, j, mj = 0 4 0 0 0.1145590E-11 1 0.1285233E-03 2 0.6940557E-03 3 0.2394976E-03 4 0.4419477E-04 5 0.2698425E-05 6 0.8299904E-07 7 0.1148962E-07 8 0.8386883E-08 9 0.1710104E-08 v, j, mj = 0 4 1 0 0.5446745E-06 1 0.2077207E-03 2 0.1750705E-02 3 0.7215818E-03 4 0.1666312E-03 5 0.1614261E-04 6 0.4188826E-06 7 0.2031352E-07 8 0.5608045E-08 9 0.1356595E-08 v, j, mj = 0 4 2 0 0.5352950E-12 1 0.3377566E-02 2 0.9257439E-03 3 0.2255286E-02 4 0.7023235E-03 5 0.6427175E-04 6 0.2675655E-05 7 0.6782483E-07 8 0.1348171E-07 9 0.1546337E-08 v, j, mj = 0 4 3 0 0.2143721E-13 1 0.7845007E-02 2 0.3819843E-03 3 0.2111397E-02 4 0.8181213E-03 5 0.6806465E-04 6 0.8736988E-06 7 0.4094980E-07 8 0.2805667E-07 9 0.3554340E-08 v, j, mj = 0 4 4 0 0.8288490E-03 1 0.2123412E-02 2 0.4324058E-03 3 0.1172468E-03 4 0.5736708E-03 5 0.5186963E-03 6 0.5690316E-04 7 0.7111787E-06 8 0.4721288E-07 9 0.1748020E-08 v, j, mj = 0 6 -6 0 0.1843504E-14 1 0.4827214E-10 2 0.1299941E-10 3 0.6998223E-10 4 0.4737906E-10 5 0.8457322E-10 6 0.2726873E-09 7 0.1737339E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2857183E-10 1 0.1193298E-09 2 0.1409818E-08 3 0.3963381E-09 4 0.2345643E-09 5 0.4568813E-09 6 0.5672376E-09 7 0.8401247E-10 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2311382E-14 1 0.4433714E-07 2 0.1226723E-07 3 0.1273983E-07 4 0.5317539E-08 5 0.1367657E-08 6 0.1532418E-08 7 0.1432406E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1569753E-14 1 0.8997717E-07 2 0.9324725E-08 3 0.1347768E-06 4 0.1623483E-07 5 0.5060799E-08 6 0.3403581E-08 7 0.4690921E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.1345708E-06 1 0.1701480E-07 2 0.5230533E-06 3 0.1393351E-05 4 0.3259385E-06 5 0.1816933E-07 6 0.6231909E-08 7 0.9609670E-09 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1730236E-13 1 0.5225414E-06 2 0.2028331E-04 3 0.2028282E-04 4 0.3018843E-05 5 0.1719538E-06 6 0.2029774E-07 7 0.7722164E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.2886105E-12 1 0.9543455E-05 2 0.2765662E-03 3 0.2411380E-03 4 0.2404185E-04 5 0.8724430E-06 6 0.2178434E-07 7 0.6136676E-08 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.8645533E-06 1 0.9297716E-03 2 0.4315066E-02 3 0.1912022E-02 4 0.1522334E-03 5 0.3513134E-05 6 0.7621399E-07 7 0.1447527E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.1114510E-11 1 0.7336319E-02 2 0.3339516E-01 3 0.9329436E-02 4 0.5981595E-03 5 0.1110323E-04 6 0.1448910E-06 7 0.1375221E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.8646597E-14 1 0.6747005E-01 2 0.1218528E+00 3 0.1824869E-01 4 0.1035553E-02 5 0.3503102E-04 6 0.5017283E-06 7 0.1280589E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1182176E+00 1 0.1060998E+00 2 0.7586858E-01 3 0.8775335E-02 4 0.3618445E-02 5 0.1934664E-03 6 0.2369461E-05 7 0.1933682E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1538060E-13 1 0.7052127E-03 2 0.1154699E+00 3 0.1000148E+00 4 0.1665515E-01 5 0.4941685E-03 6 0.2497144E-05 7 0.5412047E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.7614998E-12 1 0.9783412E-03 2 0.2486140E-01 3 0.8677902E-01 4 0.3969071E-01 5 0.2574924E-02 6 0.2077649E-04 7 0.3419839E-07 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.3130761E-12 1 0.2264812E-12 2 0.4866864E-12 3 0.3465450E-11 4 0.4413623E-11 5 0.3379397E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.5642536E-16 1 0.8232249E-13 2 0.7681761E-12 3 0.1001138E-11 4 0.3021012E-11 5 0.4760085E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.4112114E-16 1 0.1410775E-11 2 0.2067980E-11 3 0.1021490E-10 4 0.6122247E-11 5 0.1397494E-11 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.3338729E-11 1 0.3932289E-10 2 0.1966004E-10 3 0.3633253E-10 4 0.3800899E-10 5 0.1177158E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2231113E-15 1 0.2856068E-09 2 0.5577222E-09 3 0.5605616E-09 4 0.2947100E-09 5 0.9372524E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1763700E-16 1 0.2716775E-09 2 0.3599853E-08 3 0.1903305E-08 4 0.7994644E-09 5 0.4055394E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1172033E-08 1 0.1283491E-08 2 0.2967762E-08 3 0.1736478E-08 4 0.3685771E-08 5 0.6146390E-09 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.6079201E-17 1 0.2298126E-08 2 0.1351082E-07 3 0.5368756E-08 4 0.1386728E-07 5 0.2483394E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.2597194E-15 1 0.2395676E-07 2 0.1447624E-06 3 0.4546106E-07 4 0.7865336E-07 5 0.5978200E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1237836E-07 1 0.3102055E-06 2 0.1387156E-05 3 0.8925182E-06 4 0.2151907E-06 5 0.6286177E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1522729E-14 1 0.4181970E-05 2 0.1072968E-04 3 0.2104256E-05 4 0.2101538E-06 5 0.1950897E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.6769153E-17 1 0.3861461E-04 2 0.3193429E-04 3 0.1448126E-05 4 0.1932367E-06 5 0.1877432E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1621688E-03 1 0.1259530E-03 2 0.3480042E-04 3 0.1768123E-05 4 0.2647750E-06 5 0.1890267E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.6475469E-16 1 0.3415754E-04 2 0.1709534E-04 3 0.1915456E-05 4 0.7763864E-07 5 0.1068850E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.7580152E-15 1 0.1741415E-04 2 0.7127615E-05 3 0.2954628E-05 4 0.1760512E-06 5 0.2657049E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.4096579E-08 1 0.3559677E-06 2 0.9567064E-06 3 0.4805469E-06 4 0.3484093E-07 5 0.1877798E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.1425677E-14 1 0.3384306E-06 2 0.1260299E-05 3 0.1883267E-06 4 0.1392234E-06 5 0.2752814E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.5257181E-15 1 0.1994367E-08 2 0.2897630E-08 3 0.7634910E-08 4 0.3693769E-07 5 0.7287723E-10 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1511519E-09 1 0.7681545E-10 2 0.1804497E-08 3 0.2151386E-08 4 0.6533393E-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 0.1558348E-16 1 0.4653967E-09 2 0.2475998E-08 3 0.4546435E-08 4 0.1756207E-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 0 0 0.2895389E-17 1 0.5597952E-08 2 0.1254398E-07 3 0.4557277E-08 4 0.5441872E-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 0.8715341E-09 1 0.1810616E-07 2 0.1718426E-07 3 0.1461729E-07 4 0.9511857E-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 0.6255484E-16 1 0.6741729E-07 2 0.6046948E-07 3 0.5148382E-07 4 0.7061914E-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 0.1977676E-16 1 0.6769194E-12 2 0.5194590E-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 0.1060003E-16 1 0.2485169E-10 2 0.9963903E-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 0.7151142E-09 1 0.3734692E-09 2 0.5922764E-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 0.5443452E-17 1 0.1525323E-09 2 0.1377695E-10 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 0 0 0.7895309E-17 1 0.7256202E-08 2 0.8986413E-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 0.2422329E-09 1 0.7296989E-09 2 0.7372564E-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 2 0 0.8801840E-17 1 0.3777123E-08 2 0.2224218E-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 0.5054017E-17 1 0.1821877E-07 2 0.3477646E-09 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 4 0 0.2083782E-07 1 0.1820609E-07 2 0.3618521E-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 = 0.9986985 average vibrational energy (ev) = 0.000000 average rotational energy (ev) = 0.290267 average diffraction energy (ev) = 0.034151 the reaction probability = 0.1301498D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.41558461D+01 trans energy = 0.43571429D+00 trans energy in z = 0.43571429D+00 total momentum = 0.10847330D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1001365E+01 0.4239728E-01 0.2871713E+00 1 0.4938970E-05 0.2533425E-01 0.5982123E-01 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.8653195E-03 0 21 2 -2 0.9242324E-04 0 26 2 -1 0.5548555E-03 0 32 2 0 0.2266750E-03 0 37 2 1 0.2380332E-02 0 42 2 2 0.1633951E-02 0 13 4 -4 0.6075046E-05 0 17 4 -3 0.3962986E-04 0 22 4 -2 0.2421405E-03 0 27 4 -1 0.6648877E-03 0 33 4 0 0.2988999E-02 0 38 4 1 0.5223702E-02 0 43 4 2 0.8908826E-02 0 47 4 3 0.1783104E-01 0 51 4 4 0.8426989E-02 0 7 6 -6 0.6859843E-08 0 10 6 -5 0.3747169E-07 0 14 6 -4 0.5862590E-06 0 18 6 -3 0.2484626E-05 0 23 6 -2 0.2069127E-04 0 28 6 -1 0.2643728E-03 0 34 6 0 0.2297366E-02 0 39 6 1 0.1924208E-01 0 44 6 2 0.8443671E-01 0 48 6 3 0.1802695E+00 0 52 6 4 0.2333567E+00 0 55 6 5 0.1852090E+00 0 58 6 6 0.2442039E+00 0 3 8 -8 0.2563188E-10 0 5 8 -7 0.4294949E-10 0 8 8 -6 0.6128284E-10 0 11 8 -5 0.5311907E-09 0 15 8 -4 0.4708468E-08 0 19 8 -3 0.1521427E-07 0 24 8 -2 0.3464365E-07 0 29 8 -1 0.2343042E-06 0 35 8 0 0.3171915E-05 0 40 8 1 0.2732214E-04 0 45 8 2 0.1073911E-03 0 49 8 3 0.3011196E-03 0 53 8 4 0.1200464E-02 0 56 8 5 0.2617937E-03 0 59 8 6 0.6332231E-04 0 61 8 7 0.8471192E-05 0 63 8 8 0.2933262E-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 0.1031760E-06 1 21 2 -2 0.8685899E-08 1 26 2 -1 0.1133357E-07 1 32 2 0 0.1853289E-07 1 37 2 1 0.3220077E-06 1 42 2 2 0.3609314E-05 1 13 4 -4 0.9288091E-10 1 17 4 -3 0.1579775E-09 1 22 4 -2 0.2858669E-08 1 27 4 -1 0.2627532E-08 1 33 4 0 0.1225655E-07 1 38 4 1 0.6498663E-08 1 43 4 2 0.7089621E-07 1 47 4 3 0.2267903E-06 1 51 4 4 0.5437403E-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 0.1892029E-12 1 0.2639269E-04 2 0.3727331E-03 3 0.2663078E-03 4 0.1394542E-03 5 0.4479328E-04 6 0.1334225E-04 7 0.2150614E-05 8 0.1410996E-06 9 0.4500998E-08 v, j, mj = 0 2 -2 0 0.5604902E-06 1 0.2777955E-05 2 0.6023063E-05 3 0.5373646E-04 4 0.1972515E-04 5 0.7813898E-05 6 0.1571780E-05 7 0.1948687E-06 8 0.1401343E-07 9 0.5563665E-08 v, j, mj = 0 2 -1 0 0.6943038E-13 1 0.3813645E-05 2 0.2684660E-03 3 0.2382079E-03 4 0.3853759E-04 5 0.4944051E-05 6 0.7434733E-06 7 0.1276582E-06 8 0.1046631E-07 9 0.4677047E-08 v, j, mj = 0 2 0 0 0.2115516E-12 1 0.8650059E-05 2 0.9656803E-04 3 0.9939690E-04 4 0.1072376E-04 5 0.7055558E-05 6 0.3543041E-05 7 0.6912239E-06 8 0.4051357E-07 9 0.5910156E-08 v, j, mj = 0 2 1 0 0.1392693E-05 1 0.2303928E-03 2 0.1409937E-02 3 0.4544651E-03 4 0.1978155E-03 5 0.6726722E-04 6 0.1832203E-04 7 0.7135716E-06 8 0.2071754E-07 9 0.5364510E-08 v, j, mj = 0 2 2 0 0.2008182E-11 1 0.5370457E-03 2 0.1156193E-03 3 0.3481459E-03 4 0.2160728E-03 5 0.2327627E-03 6 0.1573130E-03 7 0.2617903E-04 8 0.7877638E-06 9 0.2464931E-07 v, j, mj = 0 4 -4 0 0.8713199E-14 1 0.2234002E-05 2 0.1337689E-05 3 0.1319447E-05 4 0.1025578E-05 5 0.1273594E-06 6 0.2271567E-07 7 0.4140909E-08 8 0.2251339E-08 9 0.1862014E-08 v, j, mj = 0 4 -3 0 0.1435533E-13 1 0.8241615E-05 2 0.4692236E-05 3 0.2179700E-04 4 0.4835158E-05 5 0.4352306E-07 6 0.1088608E-07 7 0.5044604E-08 8 0.3399061E-08 9 0.1000570E-08 v, j, mj = 0 4 -2 0 0.2205334E-04 1 0.3964728E-05 2 0.5649371E-04 3 0.1501883E-03 4 0.9123257E-05 5 0.2624328E-06 6 0.4836589E-07 7 0.3694979E-08 8 0.1514373E-08 9 0.1186511E-08 v, j, mj = 0 4 -1 0 0.1609660E-12 1 0.9860735E-05 2 0.2815922E-03 3 0.3589767E-03 4 0.1406535E-04 5 0.2929072E-06 6 0.8307356E-07 7 0.1284391E-07 8 0.1781212E-08 9 0.2123896E-08 v, j, mj = 0 4 0 0 0.5277116E-11 1 0.3765040E-03 2 0.2099658E-02 3 0.4348026E-03 4 0.7289343E-04 5 0.4789836E-05 6 0.3077841E-06 7 0.3395722E-07 8 0.6483344E-08 9 0.2946960E-08 v, j, mj = 0 4 1 0 0.1328991E-05 1 0.6628591E-03 2 0.3426585E-02 3 0.8318402E-03 4 0.2571958E-03 5 0.4095801E-04 6 0.2825168E-05 7 0.9896879E-07 8 0.7487988E-08 9 0.3070995E-08 v, j, mj = 0 4 2 0 0.1330039E-11 1 0.3682703E-02 2 0.1153267E-02 3 0.2630078E-02 4 0.1223857E-02 5 0.2008819E-03 6 0.1752597E-04 7 0.4826852E-06 8 0.2437292E-07 9 0.5614383E-08 v, j, mj = 0 4 3 0 0.6308571E-13 1 0.1336444E-01 2 0.9856181E-03 3 0.2112938E-02 4 0.1037264E-02 5 0.3042559E-03 6 0.2582616E-04 7 0.6465598E-06 8 0.4153046E-07 9 0.8122671E-08 v, j, mj = 0 4 4 0 0.2000245E-02 1 0.2109421E-02 2 0.7223180E-04 3 0.1354744E-03 4 0.1424004E-02 5 0.2165277E-02 6 0.5041359E-03 7 0.1611972E-04 8 0.7414720E-07 9 0.4406135E-08 v, j, mj = 0 6 -6 0 0.3094691E-14 1 0.1576525E-08 2 0.2215087E-08 3 0.1303232E-08 4 0.5703231E-09 5 0.9997485E-10 6 0.2692493E-09 7 0.4294718E-09 8 0.3959766E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2001247E-09 1 0.9718508E-08 2 0.2179933E-07 3 0.2722071E-08 4 0.1133956E-08 5 0.5111074E-09 6 0.9063809E-09 7 0.3968126E-09 8 0.8339731E-10 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.2936313E-14 1 0.4054665E-06 2 0.3626183E-07 3 0.9861770E-07 4 0.3906808E-07 5 0.3709887E-08 6 0.2415683E-08 7 0.5720307E-09 8 0.1472530E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.1009116E-13 1 0.6140714E-06 2 0.1450509E-06 3 0.1443919E-05 4 0.2666603E-06 5 0.7835871E-08 6 0.5689832E-08 7 0.9378431E-09 8 0.4616633E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2022513E-06 1 0.4781703E-08 2 0.4891498E-05 3 0.1345394E-04 4 0.2071202E-05 5 0.5468927E-07 6 0.1024834E-07 7 0.1809948E-08 8 0.8531348E-09 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.1006084E-12 1 0.3569730E-06 2 0.1244172E-03 3 0.1254247E-03 4 0.1368050E-04 5 0.4621414E-06 6 0.2178525E-07 7 0.7827769E-08 8 0.1657350E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.2628037E-11 1 0.2618741E-04 2 0.1319744E-02 3 0.8745413E-03 4 0.7414240E-04 5 0.2683405E-05 6 0.5551422E-07 7 0.1021924E-07 8 0.1861241E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.2275346E-05 1 0.2921653E-02 2 0.1173973E-01 3 0.4272371E-02 4 0.2967854E-03 5 0.9023798E-05 6 0.2211513E-06 7 0.2021759E-07 8 0.4300750E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.7419293E-11 1 0.1874785E-01 2 0.5300344E-01 3 0.1191137E-01 4 0.7396532E-03 5 0.3357918E-04 6 0.7741797E-06 7 0.2647873E-07 8 0.5339512E-08 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.3791774E-13 1 0.5591042E-01 2 0.1114105E+00 3 0.1097021E-01 4 0.1782149E-02 5 0.1924494E-03 6 0.3716537E-05 7 0.6018161E-07 8 0.3634319E-08 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.1162689E+00 1 0.5740936E-01 2 0.2458250E-01 3 0.2367613E-01 4 0.1064225E-01 5 0.7619937E-03 6 0.1548273E-04 7 0.5111942E-07 8 0.5549436E-08 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.2578727E-13 1 0.1122054E-02 2 0.1008641E+00 3 0.6660545E-01 4 0.1519633E-01 5 0.1398256E-02 6 0.2266054E-04 7 0.1264837E-06 8 0.4835363E-08 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.5912644E-11 1 0.1125571E-02 2 0.3099811E-01 3 0.1064053E+00 4 0.9091574E-01 5 0.1443048E-01 6 0.3278106E-03 7 0.8782289E-06 8 0.7275896E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.1601228E-12 1 0.9830595E-12 2 0.6792312E-12 3 0.3749186E-11 4 0.3035189E-11 5 0.1445069E-10 6 0.2574394E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.4729396E-14 1 0.5073267E-11 2 0.3815286E-11 3 0.5885051E-11 4 0.1263990E-10 5 0.1408640E-10 6 0.1444856E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.5377207E-16 1 0.5589526E-11 2 0.5053141E-11 3 0.1150981E-10 4 0.1843510E-10 5 0.1940387E-10 6 0.1291339E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.1086287E-10 1 0.1004841E-09 2 0.1330653E-09 3 0.1406134E-09 4 0.1103483E-09 5 0.3211476E-10 6 0.3701794E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.5880194E-15 1 0.1218530E-08 2 0.1416803E-08 3 0.1390259E-08 4 0.4694714E-09 5 0.2105805E-09 6 0.2822249E-11 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.2048021E-15 1 0.1321144E-08 2 0.6607659E-08 3 0.5615132E-08 4 0.9415640E-09 5 0.7005522E-09 6 0.2822025E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.1370202E-08 1 0.1423126E-08 2 0.8607600E-08 3 0.1426184E-07 4 0.2320183E-08 5 0.6607773E-08 6 0.5292111E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.3405008E-15 1 0.8450018E-08 2 0.1036951E-06 3 0.1000279E-06 4 0.1090052E-07 5 0.1104935E-07 6 0.1812304E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.4868237E-14 1 0.3487894E-07 2 0.2106051E-05 3 0.9119816E-06 4 0.6536883E-07 5 0.5285803E-07 6 0.7771194E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.1333558E-07 1 0.3391893E-05 2 0.1792515E-04 3 0.5451531E-05 4 0.4635660E-06 5 0.7630097E-07 6 0.3655598E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.2427307E-13 1 0.2812057E-04 2 0.6598832E-04 3 0.1291210E-04 4 0.3456212E-06 5 0.2320738E-07 6 0.1281613E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.1840046E-15 1 0.1822646E-03 2 0.1117447E-03 3 0.6885462E-05 4 0.1831102E-06 5 0.4003213E-07 6 0.1616908E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.5848693E-03 1 0.4435307E-03 2 0.1519198E-03 3 0.1888565E-04 4 0.1169531E-05 5 0.8744626E-07 6 0.1717602E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.1196756E-14 1 0.1907928E-03 2 0.6659101E-04 3 0.4261642E-05 4 0.1015582E-06 5 0.4415759E-07 6 0.2477569E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.2459055E-13 1 0.4642927E-04 2 0.6062705E-05 3 0.9440700E-05 4 0.1261440E-05 5 0.1244224E-06 6 0.3777240E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.5726299E-07 1 0.2266702E-05 2 0.3940016E-05 3 0.1879491E-05 4 0.2137951E-06 5 0.1011649E-06 6 0.1276025E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.7703303E-13 1 0.1683779E-06 2 0.1421858E-05 3 0.9182792E-06 4 0.2076398E-06 5 0.2060377E-06 6 0.1106963E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.5187193E-14 1 0.1537496E-07 2 0.3485422E-07 3 0.1579311E-07 4 0.2506906E-07 5 0.1208468E-07 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1713011E-09 1 0.1049064E-08 2 0.2111535E-08 3 0.1116995E-08 4 0.3224269E-08 5 0.1012735E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.4641070E-15 1 0.7781941E-09 2 0.2925257E-08 3 0.2965236E-08 4 0.3636724E-08 5 0.1028155E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.4139341E-14 1 0.3125091E-08 2 0.4505718E-08 3 0.1308736E-08 4 0.8375535E-08 5 0.1217808E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.7040505E-08 1 0.5898587E-07 2 0.1516902E-06 3 0.6589098E-07 4 0.2881236E-07 5 0.9587760E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.1413433E-13 1 0.1366744E-05 2 0.1987864E-05 3 0.2392692E-06 4 0.1056820E-07 5 0.4868762E-08 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.4146106E-16 1 0.1184226E-10 2 0.2550676E-10 3 0.5553185E-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 0.3881563E-17 1 0.1373118E-10 2 0.6342706E-10 3 0.8081930E-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 0.4936999E-09 1 0.1672257E-08 2 0.5516534E-09 3 0.1410588E-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 0.1505601E-16 1 0.1611736E-08 2 0.6700033E-09 3 0.3457928E-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 0.6724240E-16 1 0.6226122E-08 2 0.4489231E-08 3 0.1541198E-08 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 1 0 0.7114232E-09 1 0.2951683E-08 2 0.9363975E-09 3 0.1899159E-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 0.1659102E-15 1 0.1873349E-07 2 0.4149640E-07 3 0.1066632E-07 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 3 0 0.2230118E-16 1 0.5167096E-07 2 0.8246693E-07 3 0.9265239E-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 0.1471219E-06 1 0.3188416E-06 2 0.5291631E-07 3 0.2486055E-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 = 1.0013704 average vibrational energy (ev) = 0.000003 average rotational energy (ev) = 0.287170 average diffraction energy (ev) = 0.042397 the reaction probability = -0.1370399D-02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ total energy = -0.40987032D+01 trans energy = 0.49285714D+00 trans energy in z = 0.49285714D+00 total momentum = 0.11536724D+02 $$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$$ ************************************ rotation-diffraction summed probabilities ************************************ v probability av edif av erot 0 0.1000807E+01 0.4910840E-01 0.2829200E+00 1 0.4174952E-03 0.1669087E-01 0.1095371E+00 ************************************ diffraction summed probabilities ************************************ v irot j m probability 0 31 0 0 0.1911263E-02 0 21 2 -2 0.3621752E-03 0 26 2 -1 0.9655467E-03 0 32 2 0 0.6359902E-03 0 37 2 1 0.5058970E-02 0 42 2 2 0.2825164E-02 0 13 4 -4 0.1102954E-03 0 17 4 -3 0.2228577E-03 0 22 4 -2 0.8385055E-03 0 27 4 -1 0.2002260E-02 0 33 4 0 0.5924719E-02 0 38 4 1 0.6148381E-02 0 43 4 2 0.1096272E-01 0 47 4 3 0.2415628E-01 0 51 4 4 0.1635889E-01 0 7 6 -6 0.9562296E-06 0 10 6 -5 0.1528999E-05 0 14 6 -4 0.4366760E-05 0 18 6 -3 0.2173288E-04 0 23 6 -2 0.1363375E-03 0 28 6 -1 0.1149269E-02 0 34 6 0 0.7187464E-02 0 39 6 1 0.3822760E-01 0 44 6 2 0.1050675E+00 0 48 6 3 0.1197107E+00 0 52 6 4 0.2096642E+00 0 55 6 5 0.1527602E+00 0 58 6 6 0.2828394E+00 0 3 8 -8 0.1914293E-09 0 5 8 -7 0.2463989E-09 0 8 8 -6 0.9370561E-09 0 11 8 -5 0.2970313E-08 0 15 8 -4 0.1558465E-07 0 19 8 -3 0.4939756E-07 0 24 8 -2 0.3302241E-06 0 29 8 -1 0.3221136E-05 0 35 8 0 0.2781913E-04 0 40 8 1 0.1634091E-03 0 45 8 2 0.3784553E-03 0 49 8 3 0.9347027E-03 0 53 8 4 0.2737768E-02 0 56 8 5 0.1070935E-02 0 59 8 6 0.2026955E-03 0 61 8 7 0.2641039E-04 0 63 8 8 0.4729469E-05 0 1 10 -10 0.2031871E-12 0 2 10 -9 0.1217567E-11 0 4 10 -8 0.6736827E-11 0 6 10 -7 0.6679551E-11 0 9 10 -6 0.1041825E-10 0 12 10 -5 0.1943797E-10 0 16 10 -4 0.4011962E-10 0 20 10 -3 0.2186922E-09 0 25 10 -2 0.6177656E-09 0 30 10 -1 0.4298289E-08 0 36 10 0 0.9966555E-08 0 41 10 1 0.4280277E-07 0 46 10 2 0.9233038E-07 0 50 10 3 0.1663708E-06 0 54 10 4 0.5718748E-06 0 57 10 5 0.1950361E-06 0 60 10 6 0.8929351E-07 0 62 10 7 0.2395060E-07 0 64 10 8 0.2176261E-07 0 65 10 9 0.4435605E-07 0 66 10 10 0.2360856E-07 1 31 0 0 0.1567182E-05 1 21 2 -2 0.1340968E-06 1 26 2 -1 0.9643354E-07 1 32 2 0 0.5550004E-06 1 37 2 1 0.1190517E-04 1 42 2 2 0.1245142E-03 1 13 4 -4 0.6721628E-09 1 17 4 -3 0.1013740E-08 1 22 4 -2 0.8411732E-08 1 27 4 -1 0.6067735E-08 1 33 4 0 0.2732334E-07 1 38 4 1 0.2630160E-06 1 43 4 2 0.3168208E-05 1 47 4 3 0.1437608E-04 1 51 4 4 0.2608722E-03 1 7 6 -6 0.8928534E-18 1 10 6 -5 0.5959280E-14 1 14 6 -4 0.3644810E-17 1 18 6 -3 0.1146240E-19 1 23 6 -2 0.9021413E-13 1 28 6 -1 0.1033861E-18 1 34 6 0 0.3059648E-19 1 39 6 1 0.7334672E-12 1 44 6 2 0.2191396E-18 1 48 6 3 0.7848787E-20 1 52 6 4 0.1358746E-09 1 55 6 5 0.2838832E-20 1 58 6 6 0.2601256E-18 1 3 8 -8 0.0000000E+00 1 5 8 -7 0.0000000E+00 1 8 8 -6 0.0000000E+00 1 11 8 -5 0.0000000E+00 1 15 8 -4 0.0000000E+00 1 19 8 -3 0.0000000E+00 1 24 8 -2 0.0000000E+00 1 29 8 -1 0.0000000E+00 1 35 8 0 0.0000000E+00 1 40 8 1 0.0000000E+00 1 45 8 2 0.0000000E+00 1 49 8 3 0.0000000E+00 1 53 8 4 0.0000000E+00 1 56 8 5 0.0000000E+00 1 59 8 6 0.0000000E+00 1 61 8 7 0.0000000E+00 1 63 8 8 0.0000000E+00 1 1 10 -10 0.0000000E+00 1 2 10 -9 0.0000000E+00 1 4 10 -8 0.0000000E+00 1 6 10 -7 0.0000000E+00 1 9 10 -6 0.0000000E+00 1 12 10 -5 0.0000000E+00 1 16 10 -4 0.0000000E+00 1 20 10 -3 0.0000000E+00 1 25 10 -2 0.0000000E+00 1 30 10 -1 0.0000000E+00 1 36 10 0 0.0000000E+00 1 41 10 1 0.0000000E+00 1 46 10 2 0.0000000E+00 1 50 10 3 0.0000000E+00 1 54 10 4 0.0000000E+00 1 57 10 5 0.0000000E+00 1 60 10 6 0.0000000E+00 1 62 10 7 0.0000000E+00 1 64 10 8 0.0000000E+00 1 65 10 9 0.0000000E+00 1 66 10 10 0.0000000E+00 ************************************ probabilities as function of diffraction order ************************************ v, j, mj = 0 0 0 0 0.3035567E-12 1 0.7351401E-04 2 0.5109274E-03 3 0.4257869E-03 4 0.4329839E-03 5 0.2959292E-03 6 0.1383671E-03 7 0.3117542E-04 8 0.2539645E-05 9 0.3913116E-07 v, j, mj = 0 2 -2 0 0.1574191E-04 1 0.7295819E-05 2 0.4489040E-04 3 0.9200726E-04 4 0.9097796E-04 5 0.7681701E-04 6 0.2948942E-04 7 0.4757374E-05 8 0.1927606E-06 9 0.5337982E-08 v, j, mj = 0 2 -1 0 0.4169598E-12 1 0.1238266E-05 2 0.3119778E-03 3 0.3882305E-03 4 0.2009328E-03 5 0.4854262E-04 6 0.1271770E-04 7 0.1842507E-05 8 0.5947942E-07 9 0.4987937E-08 v, j, mj = 0 2 0 0 0.3871038E-12 1 0.2343372E-04 2 0.9422980E-04 3 0.2792567E-03 4 0.1353483E-03 5 0.5899693E-04 6 0.3340639E-04 7 0.1049599E-04 8 0.8034828E-06 9 0.1885279E-07 v, j, mj = 0 2 1 0 0.1834554E-05 1 0.2839422E-03 2 0.2739394E-02 3 0.1080787E-02 4 0.5188373E-03 5 0.2867539E-03 6 0.1308119E-03 7 0.1622890E-04 8 0.3717906E-06 9 0.7997316E-08 v, j, mj = 0 2 2 0 0.4988176E-11 1 0.4166358E-03 2 0.1087396E-03 3 0.2342465E-03 4 0.3738260E-03 5 0.7586107E-03 6 0.7042329E-03 7 0.2174574E-03 8 0.1136664E-04 9 0.4816830E-07 v, j, mj = 0 4 -4 0 0.1094598E-12 1 0.2653801E-05 2 0.2192608E-04 3 0.3371478E-04 4 0.3251026E-04 5 0.1551869E-04 6 0.3730744E-05 7 0.2364953E-06 8 0.2095749E-08 9 0.2404624E-08 v, j, mj = 0 4 -3 0 0.7844993E-13 1 0.2447033E-04 2 0.3762194E-04 3 0.1138934E-03 4 0.4044132E-04 5 0.5903253E-05 6 0.5097312E-06 7 0.1243286E-07 8 0.4409941E-08 9 0.9380873E-09 v, j, mj = 0 4 -2 0 0.5211773E-04 1 0.1975510E-04 2 0.1676292E-03 3 0.5354277E-03 4 0.5797615E-04 5 0.4685852E-05 6 0.8240951E-06 7 0.8011380E-07 8 0.8036713E-08 9 0.1500839E-08 v, j, mj = 0 4 -1 0 0.7882551E-12 1 0.2833350E-04 2 0.1060325E-02 3 0.9019047E-03 4 0.8604622E-05 5 0.1909720E-05 6 0.1047027E-05 7 0.1275076E-06 8 0.6246076E-08 9 0.1381830E-08 v, j, mj = 0 4 0 0 0.1505968E-10 1 0.8412582E-03 2 0.4423531E-02 3 0.5448670E-03 4 0.9706780E-04 5 0.1509247E-04 6 0.2554059E-05 7 0.3252897E-06 8 0.2113680E-07 9 0.2330779E-08 v, j, mj = 0 4 1 0 0.3359408E-05 1 0.1258977E-02 2 0.3695859E-02 3 0.6549253E-03 4 0.3817422E-03 5 0.1270303E-03 6 0.2470806E-04 7 0.1766637E-05 8 0.9526440E-08 9 0.4408592E-08 v, j, mj = 0 4 2 0 0.3011024E-11 1 0.1563655E-02 2 0.3656407E-02 3 0.2946059E-02 4 0.2032588E-02 5 0.6455331E-03 6 0.1109617E-03 7 0.7439418E-05 8 0.7211376E-07 9 0.9315943E-08 v, j, mj = 0 4 3 0 0.2358489E-14 1 0.1763746E-01 2 0.1529111E-02 3 0.2423513E-02 4 0.1227560E-02 5 0.1034482E-02 6 0.2907544E-03 7 0.1327651E-04 8 0.1120725E-06 9 0.1269093E-07 v, j, mj = 0 4 4 0 0.3996782E-02 1 0.1733576E-02 2 0.3732922E-03 3 0.3701839E-03 4 0.2381389E-02 5 0.5054509E-02 6 0.2268287E-02 7 0.1792515E-03 8 0.1591976E-05 9 0.2415163E-07 v, j, mj = 0 6 -6 0 0.4884213E-14 1 0.1448046E-06 2 0.2074246E-06 3 0.2895132E-06 4 0.2324136E-06 5 0.7751222E-07 6 0.3358572E-08 7 0.7072526E-09 8 0.4955902E-09 9 0.0000000E+00 v, j, mj = 0 6 -5 0 0.2673416E-08 1 0.1687164E-06 2 0.6659799E-06 3 0.4059029E-06 4 0.2330962E-06 5 0.4753768E-07 6 0.4162824E-08 7 0.6771778E-09 8 0.2528802E-09 9 0.0000000E+00 v, j, mj = 0 6 -4 0 0.9944369E-14 1 0.1784503E-05 2 0.7233795E-06 3 0.1332689E-05 4 0.5057246E-06 5 0.1289751E-07 6 0.6079639E-08 7 0.1234789E-08 8 0.2518473E-09 9 0.0000000E+00 v, j, mj = 0 6 -3 0 0.6115010E-13 1 0.3231910E-05 2 0.2274751E-05 3 0.1386962E-04 4 0.2335728E-05 5 0.1044964E-07 6 0.8355731E-08 7 0.1782937E-08 8 0.2864306E-09 9 0.0000000E+00 v, j, mj = 0 6 -2 0 0.2221307E-05 1 0.2628496E-06 2 0.3464262E-04 3 0.9088961E-04 4 0.8176673E-05 5 0.1241945E-06 6 0.1575541E-07 7 0.2866668E-08 8 0.1659214E-08 9 0.0000000E+00 v, j, mj = 0 6 -1 0 0.4449113E-12 1 0.5427708E-05 2 0.5971016E-03 3 0.5157010E-03 4 0.3022662E-04 5 0.7483539E-06 6 0.4039537E-07 7 0.1998561E-07 8 0.2847631E-08 9 0.0000000E+00 v, j, mj = 0 6 0 0 0.1558680E-10 1 0.1144150E-03 2 0.4906817E-02 3 0.2049436E-02 4 0.1124042E-03 5 0.4248223E-05 6 0.1307450E-06 7 0.8987991E-08 8 0.3890987E-08 9 0.0000000E+00 v, j, mj = 0 6 1 0 0.7204744E-05 1 0.7678108E-02 2 0.2448764E-01 3 0.5759316E-02 4 0.2782932E-03 5 0.1627333E-04 6 0.7016579E-06 7 0.5138928E-07 8 0.7122459E-08 9 0.0000000E+00 v, j, mj = 0 6 2 0 0.3560010E-10 1 0.3641285E-01 2 0.5947458E-01 3 0.8304954E-02 4 0.7573156E-03 5 0.1125913E-03 6 0.5018089E-05 7 0.1611477E-06 8 0.1593192E-07 9 0.0000000E+00 v, j, mj = 0 6 3 0 0.1341352E-12 1 0.3383383E-01 2 0.7498958E-01 3 0.5490312E-02 4 0.4708113E-02 5 0.6605172E-03 6 0.2800190E-04 7 0.3493157E-06 8 0.1229780E-07 9 0.0000000E+00 v, j, mj = 0 6 4 0 0.9932592E-01 1 0.3171628E-01 2 0.7824399E-02 3 0.5107861E-01 4 0.1782698E-01 5 0.1814112E-02 6 0.7702680E-04 7 0.9053704E-06 8 0.1700784E-07 9 0.0000000E+00 v, j, mj = 0 6 5 0 0.1135148E-13 1 0.4314167E-02 2 0.9627712E-01 3 0.4384564E-01 4 0.5134929E-02 5 0.3016519E-02 6 0.1704105E-03 7 0.1407029E-05 8 0.3603749E-07 9 0.0000000E+00 v, j, mj = 0 6 6 0 0.3271849E-10 1 0.2402098E-02 2 0.4680980E-01 3 0.9626812E-01 4 0.1011191E+00 5 0.3416899E-01 6 0.2055196E-02 7 0.1604571E-04 8 0.9718124E-08 9 0.0000000E+00 v, j, mj = 0 8 -8 0 0.7898742E-11 1 0.1067742E-10 2 0.4493979E-10 3 0.4600431E-10 4 0.1841930E-10 5 0.4170270E-10 6 0.2178708E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -7 0 0.2863970E-13 1 0.2199732E-10 2 0.5227867E-10 3 0.3900793E-10 4 0.6346531E-10 5 0.3117986E-10 6 0.3844114E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -6 0 0.9487112E-16 1 0.3007135E-09 2 0.3359838E-09 3 0.5046665E-10 4 0.1352780E-09 5 0.6935486E-10 6 0.4525928E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -5 0 0.2541624E-10 1 0.7940148E-09 2 0.8880663E-09 3 0.6785161E-09 4 0.3679083E-09 5 0.1199357E-09 6 0.9645571E-10 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -4 0 0.2480446E-16 1 0.6105862E-08 2 0.2402815E-08 3 0.5875643E-08 4 0.6967965E-09 5 0.3493137E-09 6 0.1542239E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -3 0 0.1277420E-14 1 0.3121191E-08 2 0.1003696E-07 3 0.2857433E-07 4 0.5660668E-08 5 0.8234412E-09 6 0.1180974E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -2 0 0.5786010E-08 1 0.6339651E-08 2 0.3850666E-07 3 0.2360870E-06 4 0.3500095E-07 5 0.7450085E-08 6 0.1053733E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 -1 0 0.3277451E-14 1 0.6329006E-07 2 0.1292494E-05 3 0.1683132E-05 4 0.1560032E-06 5 0.1170673E-07 6 0.1451037E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 0 0 0.5398669E-13 1 0.3158365E-06 2 0.1803734E-04 3 0.8711663E-05 4 0.5863706E-06 5 0.1605767E-06 6 0.7345687E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 1 0 0.2213031E-07 1 0.2510838E-04 2 0.1125583E-03 3 0.2454449E-04 4 0.1114395E-05 5 0.3009845E-07 6 0.3125877E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 2 0 0.1627390E-12 1 0.1167700E-03 2 0.2300351E-03 3 0.3102520E-04 4 0.2826799E-06 5 0.3325361E-06 6 0.9797840E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 3 0 0.3687848E-14 1 0.6288218E-03 2 0.2742198E-03 3 0.2940669E-04 4 0.1960838E-05 5 0.2749336E-06 6 0.1862865E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 4 0 0.1524803E-02 1 0.8882147E-03 2 0.2664841E-03 3 0.5427381E-04 4 0.3922565E-05 5 0.5533359E-07 6 0.1405111E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 5 0 0.6491271E-14 1 0.7653151E-03 2 0.2786007E-03 3 0.2567481E-04 4 0.1260930E-05 5 0.7470774E-07 6 0.8823250E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 6 0 0.8864500E-13 1 0.1455407E-03 2 0.1545757E-04 3 0.3165658E-04 4 0.9234144E-05 5 0.7839426E-06 6 0.2261959E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 7 0 0.1303754E-06 1 0.1004077E-04 2 0.6916707E-05 3 0.6657057E-05 4 0.2434535E-05 5 0.1334335E-06 6 0.9751433E-07 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 8 8 0 0.5788172E-12 1 0.1224489E-06 2 0.1830766E-05 3 0.1817640E-05 4 0.5371883E-06 5 0.2948128E-06 6 0.1266126E-06 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 -10 0 0.3150235E-16 1 0.6442925E-13 2 0.1387263E-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 -9 0 0.7736667E-17 1 0.6222654E-12 2 0.5952941E-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 0.1425476E-11 1 0.4127415E-11 2 0.1183936E-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 -7 0 0.5676066E-16 1 0.4506589E-11 2 0.2172905E-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 0.7106304E-17 1 0.6319486E-11 2 0.4098761E-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 0.1198950E-11 1 0.7080493E-11 2 0.1115852E-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 -4 0 0.1396653E-15 1 0.1836307E-10 2 0.2175641E-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 -3 0 0.1047587E-17 1 0.1056602E-09 2 0.1130319E-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 -2 0 0.6995562E-10 1 0.3878553E-09 2 0.1599547E-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 0.2664629E-17 1 0.1281387E-08 2 0.3016902E-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 0 0 0.7848691E-17 1 0.1639567E-08 2 0.8326989E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 1 0 0.3545728E-08 1 0.2175826E-07 2 0.1749878E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 2 0 0.6455961E-16 1 0.2163860E-07 2 0.7069178E-07 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 3 0 0.2620125E-16 1 0.5928172E-07 2 0.1070891E-06 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 0 10 4 0 0.2661461E-06 1 0.2109275E-06 2 0.9480121E-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 0.3361582E-16 1 0.7851634E-07 2 0.1165197E-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 0.1386581E-16 1 0.3621647E-07 2 0.5307704E-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 0.6243640E-09 1 0.3408038E-08 2 0.1991820E-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 8 0 0.9887658E-16 1 0.9652571E-08 2 0.1211004E-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 0.1109228E-16 1 0.3276058E-07 2 0.1159547E-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 0.1426537E-07 1 0.3629400E-08 2 0.5713785E-08 3 0.0000000E+00 4 0.0000000E+00 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 0 0 0 0.5224376E-13 1 0.3324552E-07 2 0.1038634E-05 3 0.4432453E-06 4 0.3283442E-07 5 0.1779800E-07 6 0.1424601E-08 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -2 0 0.1924222E-07 1 0.3839356E-07 2 0.5881871E-07 3 0.1226210E-07 4 0.3159879E-08 5 0.2029687E-08 6 0.1906467E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 -1 0 0.4739641E-14 1 0.4957398E-08 2 0.6756099E-07 3 0.1911608E-07 4 0.2148025E-08 5 0.2448786E-08 6 0.2022572E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 0 0 0.3676260E-13 1 0.1284431E-06 2 0.3444668E-06 3 0.6326278E-07 4 0.8403995E-08 5 0.9762229E-08 6 0.6614397E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 1 0 0.2236733E-07 1 0.1281969E-05 2 0.7511322E-05 3 0.2885080E-05 4 0.1894326E-06 5 0.1424711E-07 6 0.7491551E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 2 2 0 0.4526469E-13 1 0.2523523E-04 2 0.7760952E-04 3 0.2091719E-04 4 0.7384100E-06 5 0.1327720E-07 6 0.6028927E-09 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -4 0 0.8073131E-16 1 0.1944789E-10 2 0.6032772E-10 3 0.1515153E-09 4 0.4408719E-09 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 v, j, mj = 1 4 -3 0 0.5167552E-17 1 0.2753943E-09 2 0.2964129E-09 3 0.2476195E-09 4 0.1943134E-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 0.4303381E-09 1 0.3476188E-08 2 0.2171336E-08 3 0.1643983E-08 4 0.6898872E-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 0.8988419E-16 1 0.1952742E-08 2 0.2403812E-08 3 0.7698638E-09 4 0.9413171E-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 0 0 0.1593125E-14 1 0.1033391E-07 2 0.8129527E-08 3 0.5371113E-08 4 0.3488789E-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 0.4837982E-09 1 0.2769712E-07 2 0.1699279E-06 3 0.5901897E-07 4 0.5888200E-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 0.2177401E-14 1 0.1132144E-05 2 0.1624854E-05 3 0.3825551E-06 4 0.2865499E-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 3 0 0.1018614E-16 1 0.8284275E-05 2 0.5717528E-05 3 0.3593092E-06 4 0.1497138E-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 0.6346849E-04 1 0.1608664E-03 2 0.3524718E-04 3 0.1255865E-05 4 0.3425598E-07 5 0.0000000E+00 6 0.0000000E+00 7 0.0000000E+00 8 0.0000000E+00 9 0.0000000E+00 sum of the probabilities = 1.0012247 average vibrational energy (ev) = 0.000212 average rotational energy (ev) = 0.282848 average diffraction energy (ev) = 0.049095 the reaction probability = -0.1224662D-02 etrans(icomin)= 0.151114 etrans(icomax)= 0.548327 etrans= 0.550000 CPU TIMES Total computation 107328.0853 (a) ... Propagating the wavefunction 105197.1363 (b) Setup time 1921.9232 Saving the wave function for rerun 45.6685 Calculating averages 4.6231 Calculating and saving BK-coeffs 11.8133 Asymptotic analysis 3.1708 Saving the flux coefficients 0.0000 Flux analysis 0.0000 ----------------------------------------------------- Sum 107184.3352 (a) ... FFTs along X and Y 5121.4021 Kinetic energy operation along Z 30468.4784 Kinetic energy operation along r 22314.0378 Potential energy multiplication 12044.7698 Legengre transforms 28063.7177 Shifting the wavefunction 2201.7750 Kinetic energy multiplications (xy) 464.6306 Absorbing the wavefunction 550.3701 Projection formalism 17.4493 Operations on specular grid 0.1734 ----------------------------------------------------- Sum 101246.8042 (b) ... Potential initialisation time 0.0000 Potential setup time 1895.6163 FFTs along X 2653.7940 FFTs along Y 2467.6081 Time spent on FGH for asympwf 0.4131 Ending date and time: Fri Aug 2 01:15:53 CEST 2019