GENERAL INFO
| Title: | /SiMo Si02Mo05O23-2H-iso-0 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/114614 |
| Program: | ADF 2019 |
| Author: | Buils, Jordi |
| Formula: | H2Mo5O23Si2 |
| Calculation type: | Geometry optimization (Solvation) |
| Method(s): | DFT ( PBEc PBEx ) | PW92 == Not Default == |
| Core Treatment : | Frozen Orbital(s) |
| Symmetry : | NOSYM |
| Temperature | 298.150000 K |
| Pressure | 1.000000 atm |
MOLECULAR INFO
| Charge: | -6 |
| Multiplicity: | 1 |
Solvation input
| Division Level for Surface Triangles (NDIV) | 3 | |
| Final Division Level for Triangles (NFDIV) | 1 | |
| Radius of the Solvent (RSOL) | 1.93000 | Å |
| Dielectric Constant (EPSL) | 78.39000 | |
| COSMO equation is solved iteratively- | conjugate-gradient | |
| Maximun of Iterations for Charges (NCIX) | 1000 | |
| Criterion for Charge convergence (CCNV) | 1.0E-08 | |
| Geometry-dependent empirical factor | 0.00000 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.34 |
| System | 0.02 |
| Elapsed | 0.40 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.61 |
| System | 0.02 |
| Elapsed | 0.66 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.74 |
| System | 0.03 |
| Elapsed | 0.81 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.45 |
| System | 0.03 |
| Elapsed | 0.51 |
JOB | SCF Converged
Bonding Energy (Summary)
| Type | Value | Units |
|---|---|---|
| Electrostatic Energy | -180.5404 | eV |
| Kinetic Energy | 229.4699 | eV |
| Coulomb (Steric+OrbInt) Energy | -34.2908 | eV |
| XC Energy | -230.5890 | eV |
| Solvation | -51.0911 | eV |
| Total Bonding Energy | -267.0413 | eV |
Fit Test
Fit test: (difference of exact and fit density, squared integrated, result summed
over spins)
| Sum-of-Fragments: | 0.00000000062630 |
| Orthogonalized Fragments: | 0.00027180128471 |
| SCF: | 0.00012169548829 |
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Multipole Derived Atomic Charges
Multipole Derived Atomic Charges (a.u.)
Multipole molecular moments
Dipole moment
| X | Y | Z | Total |
|---|---|---|---|
| 2.74032752 | -5.81915706 | -3.06088047 | 7.12326983 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -24.52815951 | 22.53495110 | -14.45580151 | -6.01533808 | 1.87531695 | 30.54349759 |
Vibrational Frequencies and Intensities
IR spectrum
Selected frequency :
Zero Point Energy
| Zero-point | 2.685239 | eV |
Thermochemistry
| Temp | Transl | Rotat | Vibrat | Total | |
|---|---|---|---|---|---|
| 298.15 | Entropy (cal.mol-1.K-1): | 46.318 | 37.594 | 125.677 | 209.589 |
| Internal Energy (kcal.mol-1): | 0.889 | 0.889 | 82.160 | 83.937 | |
| Constant Volume Heat Capacity (cal.mol-1.K-1): | 2.981 | 2.981 | 120.804 | 126.766 | |
| G (kJ.mol-1 // kcal.mol-1) | -25673.3 // -6136.1 |
QTAIM
Geometry in the CP search
| Atom | x | y | z |
|---|---|---|---|
| Mo | -0.056238 | 0.893504 | -2.386247 |
| Mo | 2.359838 | -1.280421 | -1.284402 |
| Mo | 1.706216 | -1.185291 | 2.276954 |
| Mo | -1.304018 | 0.312470 | 2.429661 |
| Mo | -2.994355 | 1.982885 | -0.444617 |
| O | 1.257897 | -0.372718 | -2.807911 |
| O | 2.623182 | -1.646941 | 0.605842 |
| O | 0.197966 | -0.275689 | 3.382957 |
| O | -2.804773 | 0.797133 | 0.942886 |
| O | -1.521037 | 2.292946 | -1.478968 |
| O | 0.910491 | -2.752185 | 2.490555 |
| O | 3.002564 | -1.252995 | 3.455814 |
| O | 3.490530 | 0.077492 | -1.372222 |
| O | 3.206049 | -2.575590 | -2.106891 |
| O | 0.978835 | 2.599296 | -2.824811 |
| O | -0.860503 | 1.091971 | -3.947903 |
| O | -3.490155 | 3.552694 | 0.220249 |
| O | -4.326200 | 1.407896 | -1.468172 |
| O | -2.203497 | 1.148751 | 3.692885 |
| O | -2.492467 | -1.309791 | 2.742963 |
| O | -0.406852 | 1.849490 | 1.654331 |
| O | 1.973487 | 0.722764 | 1.704248 |
| O | 0.858320 | 1.117100 | -0.640742 |
| O | 1.731883 | 3.297206 | 0.833808 |
| O | -1.281629 | -0.409066 | -1.621358 |
| O | -2.007085 | -2.763211 | -0.488930 |
| O | -0.537198 | -0.874245 | 0.961092 |
| O | 0.585342 | -2.159988 | -1.033646 |
| Si | 1.089839 | 1.840735 | 0.836984 |
| Si | -0.902357 | -1.619677 | -0.482868 |
| H | -3.153957 | -1.016944 | 3.400965 |
| H | 0.636283 | 2.879218 | -3.696821 |
Total CPs
| Type CP | Number |
|---|---|
| 3,-3 | 32 |
| 3,+1 | 9 |
| 3,+3 | 2 |
| 3,-1 | 38 |
CP type: (3,-3) Atom
| CP # | x | y | z | rho |
|---|---|---|---|---|
| 1 | -0.056238 | 0.893504 | -2.386247 | 0.1240647E+06 |
| 2 | 2.359838 | -1.280421 | -1.284402 | 0.1240647E+06 |
| 3 | 1.706216 | -1.185291 | 2.276954 | 0.1240647E+06 |
| 4 | -1.304018 | 0.312470 | 2.429661 | 0.1240648E+06 |
| 5 | -2.994355 | 1.982885 | -0.444617 | 0.1240655E+06 |
| 6 | 1.257897 | -0.372718 | -2.807911 | 0.3190945E+03 |
| 7 | 2.623182 | -1.646941 | 0.605842 | 0.3189512E+03 |
| 8 | 0.197966 | -0.275689 | 3.382957 | 0.3191003E+03 |
| 9 | -2.804773 | 0.797133 | 0.942886 | 0.3190462E+03 |
| 10 | -1.521037 | 2.292946 | -1.478968 | 0.3190869E+03 |
| 11 | 0.910491 | -2.752185 | 2.490555 | 0.3193407E+03 |
| 12 | 3.002564 | -1.252995 | 3.455814 | 0.3193403E+03 |
| 13 | 3.490530 | 0.077492 | -1.372222 | 0.3193422E+03 |
| 14 | 3.206049 | -2.575590 | -2.106891 | 0.3193405E+03 |
| 15 | 0.978835 | 2.599296 | -2.824811 | 0.3188875E+03 |
| 16 | -0.860503 | 1.091971 | -3.947903 | 0.3193455E+03 |
| 17 | -3.490155 | 3.552694 | 0.220249 | 0.3192460E+03 |
| 18 | -4.326200 | 1.407896 | -1.468172 | 0.3192475E+03 |
| 19 | -2.203497 | 1.148751 | 3.692885 | 0.3193635E+03 |
| 20 | -2.492467 | -1.309791 | 2.742963 | 0.3188931E+03 |
| 21 | -0.406852 | 1.849490 | 1.654331 | 0.3188466E+03 |
| 22 | 1.973487 | 0.722764 | 1.704248 | 0.3187787E+03 |
| 23 | 0.858320 | 1.117100 | -0.640742 | 0.3187515E+03 |
| 24 | 1.731883 | 3.297206 | 0.833808 | 0.3187794E+03 |
| 25 | -1.281629 | -0.409066 | -1.621358 | 0.3188439E+03 |
| 26 | -2.007085 | -2.763211 | -0.488930 | 0.3187803E+03 |
| 27 | -0.537198 | -0.874245 | 0.961092 | 0.3187304E+03 |
| 28 | 0.585342 | -2.159988 | -1.033646 | 0.3187930E+03 |
| 29 | 1.089839 | 1.840735 | 0.836984 | 0.1943371E+04 |
| 30 | -0.902357 | -1.619677 | -0.482868 | 0.1943373E+04 |
| 31 | -3.153957 | -1.016944 | 3.400965 | 0.4802189E+00 |
| 32 | 0.636283 | 2.879218 | -3.696821 | 0.4810185E+00 |
CP type: (3,+1) Cycle
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 33 | -0.757364 | 1.941272 | -0.007150 | 0.5596563E-02 | 0.2106669E-01 | 0.4498651E-03 | 0.5770576E+00 | -0.1904128E+01 | 0.4017644E-02 | -0.2768616E-02 | 0.1249029E-02 |
| 35 | -0.101722 | -0.072197 | -0.380823 | 0.9798841E-02 | 0.3927387E-01 | 0.1283759E-02 | 0.7872885E+00 | -0.1486464E+01 | 0.7833974E-02 | -0.5849479E-02 | 0.1984495E-02 |
| 37 | -1.818968 | -0.017994 | -0.073711 | 0.6751474E-02 | 0.2595829E-01 | 0.6443790E-03 | 0.6402281E+00 | -0.1731078E+01 | 0.5018849E-02 | -0.3548126E-02 | 0.1470723E-02 |
| 44 | 0.519665 | 0.638384 | 2.161180 | 0.1328922E-01 | 0.5751792E-01 | 0.2208922E-02 | 0.8932560E+00 | -0.1269328E+01 | 0.1172708E-01 | -0.9074679E-02 | 0.2652400E-02 |
| 46 | 0.138724 | 0.476167 | 0.676412 | 0.1015794E-01 | 0.4028944E-01 | 0.1362702E-02 | 0.8148880E+00 | -0.1465724E+01 | 0.8082880E-02 | -0.6093401E-02 | 0.1989479E-02 |
| 48 | 0.305666 | -0.763762 | 2.012530 | 0.2284634E-01 | 0.8626507E-01 | 0.7126701E-02 | 0.1469398E+01 | -0.1706225E+01 | 0.1965908E-01 | -0.1775190E-01 | 0.1907185E-02 |
| 50 | 1.806614 | -0.106496 | 0.144391 | 0.6304748E-02 | 0.2327332E-01 | 0.3485329E-03 | 0.6370903E+00 | -0.1232865E+01 | 0.4496688E-02 | -0.3175044E-02 | 0.1321643E-02 |
| 55 | 0.245681 | -0.857521 | -1.745060 | 0.1343132E-01 | 0.5856643E-01 | 0.2313898E-02 | 0.8929535E+00 | -0.1277896E+01 | 0.1194012E-01 | -0.9238628E-02 | 0.2701490E-02 |
| 65 | 0.954515 | -1.403630 | 0.463287 | 0.8034171E-02 | 0.3111764E-01 | 0.6677740E-03 | 0.7136878E+00 | -0.1299254E+01 | 0.6111618E-02 | -0.4443827E-02 | 0.1667792E-02 |
CP type: (3,+3) Cage
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 34 | 1.129981 | -0.475436 | 0.228414 | 0.5013114E-02 | 0.1754689E-01 | 0.1163096E-03 | 0.5766678E+00 | -0.5307930E+00 | 0.3346095E-02 | -0.2305468E-02 | 0.1040627E-02 |
| 36 | -1.007503 | 0.853723 | -0.027555 | 0.3214774E-02 | 0.1303628E-01 | 0.5993427E-04 | 0.3701492E+00 | -0.3498315E+00 | 0.2373770E-02 | -0.1488471E-02 | 0.8852997E-03 |
CP type: (3,-1) Bonds
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 38 | -0.925872 | -0.315243 | 1.646315 | 0.1044799E+00 | 0.4571544E+00 | 0.5988860E+00 | 0.3493586E+01 | 0.5068035E-01 | 0.1427386E+00 | -0.1711885E+00 | -0.2844998E-01 |
| 39 | -0.818883 | 1.108031 | 2.006115 | 0.1351789E+00 | 0.5380187E+00 | 0.9534215E+00 | 0.4560341E+01 | 0.4071093E-01 | 0.1919010E+00 | -0.2492973E+00 | -0.5739632E-01 |
| 40 | -0.756472 | -1.307287 | 0.113565 | 0.1320057E+00 | 0.6919022E+00 | 0.1455320E+01 | 0.3408445E+01 | 0.2210144E-01 | 0.2135800E+00 | -0.2541844E+00 | -0.4060441E-01 |
| 41 | -0.284726 | -1.832739 | -0.709578 | 0.1293939E+00 | 0.6671543E+00 | 0.1365355E+01 | 0.3419086E+01 | 0.1863760E-01 | 0.2062365E+00 | -0.2456844E+00 | -0.3944790E-01 |
| 42 | 0.641102 | 0.222133 | -2.594392 | 0.1597529E+00 | 0.6268517E+00 | 0.1354845E+01 | 0.5170463E+01 | 0.8973194E-01 | 0.2395217E+00 | -0.3223304E+00 | -0.8280875E-01 |
| 43 | 0.163872 | 0.126732 | 0.169068 | 0.1192382E-01 | 0.4532847E-01 | 0.3663730E-02 | 0.9460942E+00 | 0.4722794E+00 | 0.9341619E-02 | -0.7351122E-02 | 0.1990497E-02 |
| 45 | 0.415486 | 1.032916 | -1.460807 | 0.1171256E+00 | 0.5361155E+00 | 0.8046031E+00 | 0.3603916E+01 | 0.2820951E-01 | 0.1698574E+00 | -0.2056859E+00 | -0.3582851E-01 |
| 47 | 0.470224 | 1.791471 | -2.624023 | 0.1094422E+00 | 0.4013408E+00 | 0.5609726E+00 | 0.4299401E+01 | 0.1360911E+00 | 0.1387870E+00 | -0.1772388E+00 | -0.3845180E-01 |
| 49 | 1.357132 | 2.448636 | 0.834690 | 0.1614747E+00 | 0.9611598E+00 | 0.2474057E+01 | 0.3432878E+01 | 0.3614578E-02 | 0.2976743E+00 | -0.3550587E+00 | -0.5738438E-01 |
| 51 | -3.259964 | 2.820106 | -0.090083 | 0.2065070E+00 | 0.7406908E+00 | 0.2193056E+01 | 0.6712243E+01 | 0.1146064E-02 | 0.3306025E+00 | -0.4760323E+00 | -0.1454298E+00 |
| 52 | -2.076760 | 0.575090 | 1.648898 | 0.7589989E-01 | 0.3040279E+00 | 0.2703545E+00 | 0.3083910E+01 | 0.5674357E-02 | 0.8973775E-01 | -0.1034685E+00 | -0.1373078E-01 |
| 53 | -1.789288 | 0.753577 | 3.101132 | 0.2120453E+00 | 0.8554051E+00 | 0.2567660E+01 | 0.6074198E+01 | 0.8049509E-02 | 0.3590633E+00 | -0.5042754E+00 | -0.1452121E+00 |
| 54 | -1.047464 | -1.113584 | -0.946716 | 0.1198998E+00 | 0.5863740E+00 | 0.1075306E+01 | 0.3426121E+01 | 0.1075305E-01 | 0.1814368E+00 | -0.2162802E+00 | -0.3484334E-01 |
| 56 | -0.687667 | 0.204667 | -1.965152 | 0.1338917E+00 | 0.5323939E+00 | 0.9316649E+00 | 0.4535612E+01 | 0.3799100E-01 | 0.1893462E+00 | -0.2455938E+00 | -0.5624769E-01 |
| 57 | 1.446938 | 1.372013 | 1.194253 | 0.1320278E+00 | 0.6876492E+00 | 0.1444294E+01 | 0.3430482E+01 | 0.1604660E-01 | 0.2128985E+00 | -0.2538848E+00 | -0.4098624E-01 |
| 58 | 2.482427 | -1.461522 | -0.284098 | 0.1325701E+00 | 0.5184322E+00 | 0.9035459E+00 | 0.4581390E+01 | 0.3883029E-01 | 0.1853695E+00 | -0.2411310E+00 | -0.5576149E-01 |
| 59 | 2.397611 | -1.221705 | 2.906981 | 0.2181391E+00 | 0.7849251E+00 | 0.2491504E+01 | 0.6939704E+01 | 0.1761117E-01 | 0.3577853E+00 | -0.5193394E+00 | -0.1615541E+00 |
| 60 | 2.955804 | -0.549792 | -1.330572 | 0.2094973E+00 | 0.8067039E+00 | 0.2392870E+01 | 0.6312428E+01 | 0.2608450E-01 | 0.3466282E+00 | -0.4915803E+00 | -0.1449522E+00 |
| 61 | -2.209130 | 2.132112 | -0.994771 | 0.1798464E+00 | 0.6760891E+00 | 0.1687886E+01 | 0.5840436E+01 | 0.4572348E-01 | 0.2772088E+00 | -0.3853954E+00 | -0.1081865E+00 |
| 62 | -1.940340 | -0.524418 | 2.596539 | 0.1115106E+00 | 0.4083487E+00 | 0.5852954E+00 | 0.4359554E+01 | 0.1375301E+00 | 0.1422339E+00 | -0.1823806E+00 | -0.4014669E-01 |
| 63 | 0.472263 | 1.831310 | 1.170531 | 0.1195449E+00 | 0.5850006E+00 | 0.1070325E+01 | 0.3417240E+01 | 0.1244011E-01 | 0.1807954E+00 | -0.2153407E+00 | -0.3454526E-01 |
| 64 | 1.411462 | -1.715101 | -1.143270 | 0.1172385E+00 | 0.4856139E+00 | 0.7182923E+00 | 0.3985098E+01 | 0.6287180E-02 | 0.1615698E+00 | -0.2017361E+00 | -0.4016631E-01 |
| 66 | 1.273968 | -2.017483 | 2.387225 | 0.2087764E+00 | 0.8106726E+00 | 0.2390710E+01 | 0.6245539E+01 | 0.2714228E-01 | 0.3460741E+00 | -0.4894800E+00 | -0.1434059E+00 |
| 67 | 2.173556 | -1.418396 | 1.386660 | 0.1263936E+00 | 0.4996482E+00 | 0.8219428E+00 | 0.4390262E+01 | 0.4015987E-01 | 0.1746741E+00 | -0.2244362E+00 | -0.4976208E-01 |
| 68 | 1.773411 | -0.797072 | -2.064252 | 0.9508304E-01 | 0.3526087E+00 | 0.4118893E+00 | 0.3871018E+01 | 0.1049207E-01 | 0.1156412E+00 | -0.1431303E+00 | -0.2748906E-01 |
| 69 | 1.817486 | -0.180246 | 1.960605 | 0.1129542E+00 | 0.4744774E+00 | 0.6713735E+00 | 0.3833258E+01 | 0.1334389E-01 | 0.1548627E+00 | -0.1911060E+00 | -0.3624332E-01 |
| 70 | -2.877633 | 1.359583 | 0.294760 | 0.1748623E+00 | 0.6710530E+00 | 0.1613348E+01 | 0.5615005E+01 | 0.3489453E-01 | 0.2688407E+00 | -0.3699182E+00 | -0.1010775E+00 |
| 71 | -1.364254 | -2.096164 | -0.484372 | 0.1620225E+00 | 0.9678944E+00 | 0.2499458E+01 | 0.3428288E+01 | 0.3718126E-02 | 0.2995749E+00 | -0.3571763E+00 | -0.5760134E-01 |
| 72 | -0.825716 | 1.607368 | -1.909021 | 0.6710251E-01 | 0.2650712E+00 | 0.2011197E+00 | 0.2880594E+01 | 0.4942306E-02 | 0.7599362E-01 | -0.8571946E-01 | -0.9725833E-02 |
| 73 | 0.561409 | -1.023743 | 1.598764 | 0.2776333E-01 | 0.1035543E+00 | 0.2305919E-01 | 0.1693940E+01 | 0.4544766E-01 | 0.2456799E-01 | -0.2324741E-01 | 0.1320578E-02 |
| 74 | -3.705218 | 1.677021 | -0.991140 | 0.2066203E+00 | 0.7405991E+00 | 0.2193484E+01 | 0.6719213E+01 | 0.1662379E-02 | 0.3307767E+00 | -0.4764035E+00 | -0.1456269E+00 |
| 75 | 0.987391 | 1.544952 | 0.224159 | 0.1323196E+00 | 0.7035997E+00 | 0.1495713E+01 | 0.3365074E+01 | 0.1236404E-01 | 0.2159193E+00 | -0.2559387E+00 | -0.4001941E-01 |
| 76 | -0.503560 | -0.003745 | 2.920266 | 0.1602513E+00 | 0.6244762E+00 | 0.1362064E+01 | 0.5217148E+01 | 0.9549100E-01 | 0.2398287E+00 | -0.3235384E+00 | -0.8370967E-01 |
| 77 | 0.910469 | -0.706063 | 2.837367 | 0.9703308E-01 | 0.3616696E+00 | 0.4350805E+00 | 0.3903920E+01 | 0.1538463E-01 | 0.1191086E+00 | -0.1477999E+00 | -0.2869124E-01 |
| 78 | -0.484263 | 1.008811 | -3.216951 | 0.2090387E+00 | 0.8408347E+00 | 0.2477393E+01 | 0.6034118E+01 | 0.1321771E-01 | 0.3515431E+00 | -0.4928776E+00 | -0.1413344E+00 |
| 79 | 0.714857 | 2.811860 | -3.493370 | 0.3421622E+00 | -0.1663852E+01 | 0.6230211E+01 | -0.6932423E+01 | 0.6617962E-02 | 0.2032966E+00 | -0.8225564E+00 | -0.6192597E+00 |
| 80 | 2.812688 | -1.971574 | -1.724219 | 0.2192134E+00 | 0.7701768E+00 | 0.2470246E+01 | 0.7130738E+01 | 0.1460793E-01 | 0.3571932E+00 | -0.5218421E+00 | -0.1646490E+00 |
| 81 | -2.998289 | -1.082888 | 3.247491 | 0.3418763E+00 | -0.1663110E+01 | 0.6206356E+01 | -0.6925862E+01 | 0.6669790E-02 | 0.2027513E+00 | -0.8212802E+00 | -0.6185289E+00 |
Bond paths
| #BP | #CP | Atom | Atom | Distance | BP Length | BP Steps |
|---|---|---|---|---|---|---|
| 1 | 42 | 1 | 2 | 1.872983 | 1.873319 | 25 |
| 2 | 72 | 1 | 10 | 2.219737 | 2.220179 | 27 |
| 3 | 47 | 1 | 15 | 2.042900 | 2.043362 | 25 |
| 4 | 78 | 1 | 16 | 1.767767 | 1.768137 | 21 |
| 5 | 45 | 1 | 23 | 1.983230 | 1.984138 | 23 |
| 6 | 56 | 1 | 26 | 1.945078 | 1.945898 | 23 |
| 7 | 68 | 2 | 3 | 2.087889 | 2.088527 | 25 |
| 8 | 58 | 3 | 4 | 1.943375 | 1.943967 | 23 |
| 9 | 60 | 3 | 13 | 1.769209 | 1.769555 | 23 |
| 10 | 80 | 3 | 14 | 1.752149 | 1.752184 | 21 |
| 11 | 64 | 3 | 30 | 1.996335 | 1.997955 | 23 |
| 12 | 67 | 4 | 5 | 1.961266 | 1.961908 | 24 |
| 13 | 77 | 5 | 6 | 2.079768 | 2.080312 | 25 |
| 14 | 66 | 5 | 11 | 1.770299 | 1.770600 | 21 |
| 15 | 59 | 5 | 12 | 1.753515 | 1.753550 | 23 |
| 16 | 69 | 5 | 22 | 2.010000 | 2.011622 | 24 |
| 17 | 73 | 5 | 29 | 2.619379 | 2.619612 | 29 |
| 18 | 76 | 6 | 7 | 1.873675 | 1.874012 | 23 |
| 19 | 52 | 7 | 8 | 2.167410 | 2.167828 | 25 |
| 20 | 53 | 7 | 19 | 1.761863 | 1.762140 | 21 |
| 21 | 62 | 7 | 20 | 2.035264 | 2.035785 | 25 |
| 22 | 39 | 7 | 21 | 1.941256 | 1.942126 | 23 |
| 23 | 38 | 7 | 29 | 2.037892 | 2.038901 | 24 |
| 24 | 70 | 8 | 9 | 1.834970 | 1.835462 | 22 |
| 25 | 61 | 9 | 10 | 1.826659 | 1.827066 | 23 |
| 26 | 51 | 9 | 17 | 1.775434 | 1.775486 | 23 |
| 27 | 74 | 9 | 18 | 1.775412 | 1.775442 | 21 |
| 28 | 79 | 15 | 32 | 0.977804 | 0.977909 | 17 |
| 29 | 81 | 20 | 31 | 0.977903 | 0.978013 | 16 |
| 30 | 63 | 21 | 25 | 1.705349 | 1.705705 | 22 |
| 31 | 57 | 22 | 25 | 1.668184 | 1.668390 | 21 |
| 32 | 75 | 23 | 25 | 1.661603 | 1.661707 | 23 |
| 33 | 43 | 23 | 29 | 2.911838 | 2.912345 | 31 |
| 34 | 49 | 24 | 25 | 1.591710 | 1.591715 | 23 |
| 35 | 54 | 26 | 28 | 1.704579 | 1.704981 | 21 |
| 36 | 71 | 27 | 28 | 1.590009 | 1.590021 | 21 |
| 37 | 40 | 28 | 29 | 1.665542 | 1.665624 | 21 |
| 38 | 41 | 28 | 30 | 1.675870 | 1.676075 | 21 |
Timing
| Factor | |
|---|---|
| Cpu | 12461.74 |
| System | 370.84 |
| Elapsed | 13160.84 |
Report data
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