GENERAL INFO
| Title: | /Ta Ta06O19-1H-iso-0 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/115916 |
| Program: | ADF 2019 |
| Author: | Buils, Jordi |
| Formula: | HO19Ta6 |
| 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: | -7 |
| 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 | 0.33 |
| System | 0.02 |
| Elapsed | 0.38 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 1.19 |
| System | 0.05 |
| Elapsed | 1.29 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.44 |
| System | 0.01 |
| Elapsed | 0.48 |
JOB | SCF Converged
Bonding Energy (Summary)
| Type | Value | Units |
|---|---|---|
| Electrostatic Energy | -171.3761 | eV |
| Kinetic Energy | 210.3557 | eV |
| Coulomb (Steric+OrbInt) Energy | 16.3713 | eV |
| XC Energy | -229.8975 | eV |
| Solvation | -72.2525 | eV |
| Total Bonding Energy | -246.7992 | eV |
Fit Test
Fit test: (difference of exact and fit density, squared integrated, result summed
over spins)
| Sum-of-Fragments: | 0.00000000028123 |
| Orthogonalized Fragments: | 0.00018174202485 |
| SCF: | 0.00014176193588 |
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 |
|---|---|---|---|
| -132.91159172 | -59.81557063 | -116.97109815 | 186.88400549 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -202.40687135 | -260.49366888 | -514.90955413 | 276.35812927 | -231.09215752 | -73.95125793 |
Vibrational Frequencies and Intensities
IR spectrum
Selected frequency :
Zero Point Energy
| Zero-point | 1.899491 | eV |
Thermochemistry
| Temp | Transl | Rotat | Vibrat | Total | |
|---|---|---|---|---|---|
| 298.15 | Entropy (cal.mol-1.K-1): | 47.565 | 37.682 | 102.272 | 187.518 |
| Internal Energy (kcal.mol-1): | 0.889 | 0.889 | 61.026 | 62.803 | |
| Constant Volume Heat Capacity (cal.mol-1.K-1): | 2.981 | 2.981 | 104.777 | 110.739 | |
| G (kJ.mol-1 // kcal.mol-1) | -23781.2 // -5683.8 |
QTAIM
Geometry in the CP search
| Atom | x | y | z |
|---|---|---|---|
| Ta | 1.659538 | 1.621195 | 3.081464 |
| Ta | 4.456098 | 0.191612 | 1.808012 |
| Ta | 4.083950 | 3.504771 | 1.697993 |
| Ta | 3.887796 | 0.096670 | 5.129626 |
| Ta | 6.278943 | 2.152753 | 3.887690 |
| Ta | 3.467842 | 3.400722 | 5.294431 |
| O | 2.458237 | 0.344169 | 1.764081 |
| O | 3.966422 | 1.898015 | 3.485087 |
| O | 2.154907 | 3.129710 | 1.817188 |
| O | 1.691320 | 3.052639 | 4.520537 |
| O | 1.987713 | 0.267238 | 4.517382 |
| O | -0.128817 | 1.436915 | 2.769979 |
| O | 5.794936 | 0.692932 | 5.176185 |
| O | 3.105339 | 4.659284 | 6.559318 |
| O | 4.286347 | -0.912222 | 3.458587 |
| O | 3.821890 | -1.231975 | 6.371613 |
| O | 8.063507 | 2.371247 | 4.199050 |
| O | 5.459265 | 3.475833 | 5.186153 |
| O | 4.819703 | -1.065042 | 0.542891 |
| O | 4.456419 | 1.905809 | 0.675646 |
| O | 6.263525 | 0.772497 | 2.431524 |
| O | 3.723873 | 4.744143 | 3.523415 |
| O | 4.150610 | 4.833529 | 0.454971 |
| O | 5.924845 | 3.554392 | 2.465968 |
| O | 3.496009 | 1.745384 | 6.293350 |
| H | 4.670184 | 4.952515 | 3.690850 |
Total CPs
| Type CP | Number |
|---|---|
| 3,-3 | 26 |
| 3,+1 | 13 |
| 3,-1 | 37 |
| 3,+3 | 1 |
CP type: (3,-3) Atom
| CP # | x | y | z | rho |
|---|---|---|---|---|
| 1 | 1.659538 | 1.621195 | 3.081464 | 0.3882647E+07 |
| 2 | 4.456098 | 0.191612 | 1.808012 | 0.3882647E+07 |
| 3 | 4.083950 | 3.504771 | 1.697993 | 0.3882647E+07 |
| 4 | 3.887796 | 0.096670 | 5.129626 | 0.3882647E+07 |
| 5 | 6.278943 | 2.152753 | 3.887690 | 0.3882647E+07 |
| 6 | 3.467842 | 3.400722 | 5.294431 | 0.3882647E+07 |
| 7 | 2.458237 | 0.344169 | 1.764081 | 0.3188554E+03 |
| 8 | 3.966422 | 1.898015 | 3.485087 | 0.3187932E+03 |
| 9 | 2.154907 | 3.129710 | 1.817188 | 0.3188559E+03 |
| 10 | 1.691320 | 3.052639 | 4.520537 | 0.3188561E+03 |
| 11 | 1.987713 | 0.267238 | 4.517382 | 0.3188551E+03 |
| 12 | -0.128817 | 1.436915 | 2.769979 | 0.3190315E+03 |
| 13 | 5.794936 | 0.692932 | 5.176185 | 0.3188552E+03 |
| 14 | 3.105339 | 4.659284 | 6.559318 | 0.3190399E+03 |
| 15 | 4.286347 | -0.912222 | 3.458587 | 0.3188565E+03 |
| 16 | 3.821890 | -1.231975 | 6.371613 | 0.3190388E+03 |
| 17 | 8.063507 | 2.371247 | 4.199050 | 0.3190311E+03 |
| 18 | 5.459265 | 3.475833 | 5.186153 | 0.3188522E+03 |
| 19 | 4.819703 | -1.065042 | 0.542891 | 0.3190389E+03 |
| 20 | 4.456419 | 1.905809 | 0.675646 | 0.3188719E+03 |
| 21 | 6.263525 | 0.772497 | 2.431524 | 0.3188551E+03 |
| 22 | 3.723873 | 4.744143 | 3.523415 | 0.3187314E+03 |
| 23 | 4.150610 | 4.833529 | 0.454971 | 0.3190399E+03 |
| 24 | 5.924845 | 3.554392 | 2.465968 | 0.3188522E+03 |
| 25 | 3.496009 | 1.745384 | 6.293350 | 0.3188725E+03 |
| 26 | 4.670184 | 4.952515 | 3.690850 | 0.4684999E+00 |
CP type: (3,+1) Cycle
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 27 | 3.304342 | 1.085080 | 2.604900 | 0.2525313E-01 | 0.8005773E-01 | 0.8701685E-02 | 0.1870977E+01 | -0.3604892E+01 | 0.1958404E-01 | -0.1915366E-01 | 0.4303867E-03 |
| 29 | 3.056364 | 1.045136 | 4.046978 | 0.2531969E-01 | 0.8035635E-01 | 0.8785271E-02 | 0.1872220E+01 | -0.3645458E+01 | 0.1966126E-01 | -0.1923343E-01 | 0.4278294E-03 |
| 30 | 3.745767 | 1.719518 | 4.863864 | 0.2336452E-01 | 0.6958463E-01 | 0.6084931E-02 | 0.1891013E+01 | -0.2617074E+01 | 0.1708017E-01 | -0.1676417E-01 | 0.3159916E-03 |
| 32 | 3.071631 | 2.480609 | 2.642233 | 0.2589893E-01 | 0.8265878E-01 | 0.9553824E-02 | 0.1889995E+01 | -0.4132374E+01 | 0.2028582E-01 | -0.1990695E-01 | 0.3788715E-03 |
| 33 | 2.834855 | 2.439962 | 4.011057 | 0.2591424E-01 | 0.8266701E-01 | 0.9548580E-02 | 0.1891669E+01 | -0.4107260E+01 | 0.2029361E-01 | -0.1992047E-01 | 0.3731410E-03 |
| 35 | 4.694546 | 2.661079 | 4.347599 | 0.2567174E-01 | 0.8151671E-01 | 0.9302100E-02 | 0.1888537E+01 | -0.4167633E+01 | 0.2000059E-01 | -0.1962200E-01 | 0.3785887E-03 |
| 36 | 4.931709 | 2.701679 | 2.955898 | 0.2563021E-01 | 0.8133826E-01 | 0.9258482E-02 | 0.1887579E+01 | -0.4157666E+01 | 0.1995356E-01 | -0.1957256E-01 | 0.3810045E-03 |
| 39 | 5.092189 | 3.910907 | 3.734992 | 0.1303227E-01 | 0.5387500E-01 | 0.1741535E-02 | 0.9231224E+00 | -0.1164585E+01 | 0.1105138E-01 | -0.8634018E-02 | 0.2417366E-02 |
| 43 | 4.125965 | 0.511915 | 3.469647 | 0.2352555E-01 | 0.7150907E-01 | 0.6920750E-02 | 0.1861308E+01 | -0.3462329E+01 | 0.1746403E-01 | -0.1705079E-01 | 0.4132377E-03 |
| 54 | 4.217823 | 1.798892 | 2.103507 | 0.2332861E-01 | 0.6948451E-01 | 0.6074343E-02 | 0.1888890E+01 | -0.2626830E+01 | 0.1704944E-01 | -0.1672776E-01 | 0.3216837E-03 |
| 57 | 3.848978 | 3.319429 | 3.504616 | 0.1983581E-01 | 0.6319854E-01 | 0.5654655E-02 | 0.1584855E+01 | -0.4729987E+01 | 0.1470645E-01 | -0.1361326E-01 | 0.1093190E-02 |
| 61 | 4.810710 | 1.249269 | 4.344650 | 0.2522458E-01 | 0.8000592E-01 | 0.8761174E-02 | 0.1868663E+01 | -0.3762807E+01 | 0.1956366E-01 | -0.1912583E-01 | 0.4378228E-03 |
| 62 | 5.052700 | 1.289214 | 2.917909 | 0.2520785E-01 | 0.8001747E-01 | 0.8759440E-02 | 0.1866328E+01 | -0.3759047E+01 | 0.1955870E-01 | -0.1911303E-01 | 0.4456706E-03 |
CP type: (3,-1) Bonds
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 28 | 2.854942 | 1.763686 | 3.290567 | 0.5301540E-01 | 0.2164191E+00 | 0.1180112E+00 | 0.2382252E+01 | 0.3987747E-02 | 0.5755171E-01 | -0.6099866E-01 | -0.3446944E-02 |
| 31 | 3.484769 | 2.516358 | 5.817585 | 0.1458151E+00 | 0.5788187E+00 | 0.1152777E+01 | 0.4809221E+01 | 0.2458292E-01 | 0.2124559E+00 | -0.2802071E+00 | -0.6775123E-01 |
| 34 | 3.725092 | 2.621411 | 4.361825 | 0.4809203E-01 | 0.1913527E+00 | 0.9085897E-01 | 0.2290342E+01 | 0.2696195E-01 | 0.5015309E-01 | -0.5246799E-01 | -0.2314904E-02 |
| 38 | 5.054671 | 3.525720 | 2.113650 | 0.1255644E+00 | 0.5031455E+00 | 0.8321247E+00 | 0.4312183E+01 | 0.1247205E-01 | 0.1742599E+00 | -0.2227334E+00 | -0.4847352E-01 |
| 40 | 4.521511 | 3.435735 | 5.226975 | 0.1254098E+00 | 0.5025040E+00 | 0.8298589E+00 | 0.4308834E+01 | 0.1248293E-01 | 0.1739676E+00 | -0.2223092E+00 | -0.4834159E-01 |
| 41 | 1.930571 | 2.416586 | 2.416776 | 0.1148102E+00 | 0.4606025E+00 | 0.6920336E+00 | 0.4057459E+01 | 0.1099166E-01 | 0.1546369E+00 | -0.1941232E+00 | -0.3948628E-01 |
| 42 | 1.686207 | 2.375928 | 3.841693 | 0.1147077E+00 | 0.4601358E+00 | 0.6905905E+00 | 0.4055536E+01 | 0.1108418E-01 | 0.1544434E+00 | -0.1938528E+00 | -0.3940941E-01 |
| 44 | 2.885545 | 0.194855 | 4.799552 | 0.1226217E+00 | 0.4913006E+00 | 0.7936989E+00 | 0.4245006E+01 | 0.1117934E-02 | 0.1687823E+00 | -0.2147395E+00 | -0.4595720E-01 |
| 45 | 3.682001 | 0.972585 | 5.733360 | 0.1068178E+00 | 0.4354074E+00 | 0.5972233E+00 | 0.3805896E+01 | 0.1457304E-01 | 0.1416144E+00 | -0.1743769E+00 | -0.3276252E-01 |
| 46 | 6.260700 | 1.423559 | 3.117164 | 0.1215323E+00 | 0.4891572E+00 | 0.7838399E+00 | 0.4200662E+01 | 0.4623081E-02 | 0.1671422E+00 | -0.2119951E+00 | -0.4485291E-01 |
| 47 | 6.013310 | 1.381542 | 4.566206 | 0.1215624E+00 | 0.4891842E+00 | 0.7840535E+00 | 0.4202162E+01 | 0.4695326E-02 | 0.1671820E+00 | -0.2120680E+00 | -0.4488596E-01 |
| 48 | 5.081045 | 2.019754 | 3.679109 | 0.5261330E-01 | 0.2148846E+00 | 0.1161199E+00 | 0.2369010E+01 | 0.2657577E-02 | 0.5702511E-01 | -0.6032905E-01 | -0.3303945E-02 |
| 49 | 3.062291 | 3.301025 | 1.771309 | 0.1335840E+00 | 0.5390640E+00 | 0.9620751E+00 | 0.4462347E+01 | 0.2143554E-01 | 0.1900728E+00 | -0.2453795E+00 | -0.5530678E-01 |
| 50 | 2.530391 | 3.211828 | 4.874689 | 0.1335919E+00 | 0.5390242E+00 | 0.9620079E+00 | 0.4463119E+01 | 0.2167108E-01 | 0.1900761E+00 | -0.2453961E+00 | -0.5532003E-01 |
| 51 | 3.903266 | 4.145858 | 2.646756 | 0.7025366E-01 | 0.2774626E+00 | 0.2310884E+00 | 0.2970687E+01 | 0.5969151E-01 | 0.8058771E-01 | -0.9180977E-01 | -0.1122206E-01 |
| 52 | 4.203518 | 1.071616 | 2.672030 | 0.4426472E-01 | 0.1747986E+00 | 0.7317647E-01 | 0.2183591E+01 | 0.1054351E-01 | 0.4503680E-01 | -0.4637394E-01 | -0.1337143E-02 |
| 53 | 4.119625 | 4.217105 | 1.031945 | 0.1956848E+00 | 0.7559514E+00 | 0.2090735E+01 | 0.6012399E+01 | 0.2802702E-02 | 0.3153703E+00 | -0.4417527E+00 | -0.1263824E+00 |
| 55 | 4.452966 | 4.905192 | 3.652421 | 0.3352995E+00 | -0.1652783E+01 | 0.6057398E+01 | -0.6747127E+01 | 0.5622732E-03 | 0.1891835E+00 | -0.7915628E+00 | -0.6023793E+00 |
| 56 | 3.399872 | 0.279893 | 1.792003 | 0.1224540E+00 | 0.4904929E+00 | 0.7909693E+00 | 0.4242304E+01 | 0.1072388E-02 | 0.1684496E+00 | -0.2142761E+00 | -0.4582642E-01 |
| 58 | 4.894686 | 0.419701 | 5.147271 | 0.1241362E+00 | 0.4969446E+00 | 0.8144968E+00 | 0.4283538E+01 | 0.2276408E-02 | 0.1715191E+00 | -0.2188021E+00 | -0.4728299E-01 |
| 59 | 4.453674 | 1.101552 | 1.220786 | 0.1071485E+00 | 0.4368029E+00 | 0.6014830E+00 | 0.3813330E+01 | 0.1447723E-01 | 0.1422035E+00 | -0.1752064E+00 | -0.3300282E-01 |
| 60 | 3.928080 | 1.025723 | 4.282290 | 0.4444402E-01 | 0.1755768E+00 | 0.7391831E-01 | 0.2188610E+01 | 0.1047300E-01 | 0.4527401E-01 | -0.4665383E-01 | -0.1379811E-02 |
| 63 | 7.234852 | 2.269878 | 4.054478 | 0.1935944E+00 | 0.7534760E+00 | 0.2055180E+01 | 0.5925135E+01 | 0.2524017E-03 | 0.3115980E+00 | -0.4348269E+00 | -0.1232290E+00 |
| 64 | 4.650986 | -0.481966 | 1.130006 | 0.1961867E+00 | 0.7538865E+00 | 0.2092426E+01 | 0.6054660E+01 | 0.9966528E-04 | 0.3158364E+00 | -0.4432011E+00 | -0.1273647E+00 |
| 65 | 5.836898 | 2.848574 | 4.569954 | 0.1158087E+00 | 0.4634348E+00 | 0.7013670E+00 | 0.4091284E+01 | 0.4414266E-02 | 0.1562409E+00 | -0.1966232E+00 | -0.4038223E-01 |
| 66 | 5.407991 | 0.506106 | 2.144226 | 0.1242771E+00 | 0.4974919E+00 | 0.8166033E+00 | 0.4286920E+01 | 0.2276110E-02 | 0.1717782E+00 | -0.2191833E+00 | -0.4740518E-01 |
| 67 | 4.364288 | -0.383888 | 2.687305 | 0.1253607E+00 | 0.5059598E+00 | 0.8426541E+00 | 0.4276611E+01 | 0.5348735E-02 | 0.1744847E+00 | -0.2224794E+00 | -0.4799473E-01 |
| 68 | 4.098683 | -0.428287 | 4.239618 | 0.1255637E+00 | 0.5067511E+00 | 0.8456475E+00 | 0.4281459E+01 | 0.5612140E-02 | 0.1748599E+00 | -0.2230321E+00 | -0.4817216E-01 |
| 69 | 3.852497 | -0.615490 | 5.795225 | 0.1961458E+00 | 0.7539768E+00 | 0.2092063E+01 | 0.6051833E+01 | 0.9799271E-04 | 0.3157854E+00 | -0.4430765E+00 | -0.1272912E+00 |
| 70 | 0.701572 | 1.522594 | 2.914613 | 0.1936156E+00 | 0.7540300E+00 | 0.2056193E+01 | 0.5921867E+01 | 0.5036571E-03 | 0.3117244E+00 | -0.4349413E+00 | -0.1232169E+00 |
| 71 | 3.607116 | 4.095759 | 4.376063 | 0.6991146E-01 | 0.2760824E+00 | 0.2285109E+00 | 0.2961341E+01 | 0.5941761E-01 | 0.8007931E-01 | -0.9113804E-01 | -0.1105872E-01 |
| 72 | 4.023741 | 2.671913 | 2.618858 | 0.4789199E-01 | 0.1904720E+00 | 0.8991793E-01 | 0.2285004E+01 | 0.2732715E-01 | 0.4987987E-01 | -0.5214176E-01 | -0.2261883E-02 |
| 73 | 4.281243 | 2.649950 | 1.162382 | 0.1456214E+00 | 0.5783034E+00 | 0.1149903E+01 | 0.4802852E+01 | 0.2447440E-01 | 0.2121133E+00 | -0.2796508E+00 | -0.6753745E-01 |
| 74 | 6.082179 | 2.889921 | 3.136966 | 0.1156035E+00 | 0.4626305E+00 | 0.6986451E+00 | 0.4086306E+01 | 0.4616731E-02 | 0.1558738E+00 | -0.1960900E+00 | -0.4021619E-01 |
| 75 | 1.842861 | 0.907960 | 3.841699 | 0.1233066E+00 | 0.4960949E+00 | 0.8087668E+00 | 0.4243185E+01 | 0.6921944E-02 | 0.1703918E+00 | -0.2167598E+00 | -0.4636803E-01 |
| 76 | 2.091402 | 0.948633 | 2.387373 | 0.1232060E+00 | 0.4956519E+00 | 0.8070828E+00 | 0.4241209E+01 | 0.7089994E-02 | 0.1701988E+00 | -0.2164846E+00 | -0.4628581E-01 |
| 77 | 3.273557 | 4.075452 | 5.972187 | 0.1956559E+00 | 0.7560503E+00 | 0.2090643E+01 | 0.6010133E+01 | 0.2836879E-02 | 0.3153401E+00 | -0.4416677E+00 | -0.1263276E+00 |
CP type: (3,+3) Cage
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 37 | 4.740687 | 3.467345 | 3.661942 | 0.1188219E-01 | 0.4568163E-01 | 0.7804998E-03 | 0.9333234E+00 | -0.5691394E+00 | 0.9390095E-02 | -0.7359781E-02 | 0.2030314E-02 |
Bond paths
| #BP | #CP | Atom | Atom | Distance | BP Length | BP Steps |
|---|---|---|---|---|---|---|
| 1 | 76 | 1 | 2 | 2.001053 | 2.000987 | 23 |
| 2 | 28 | 1 | 3 | 2.358231 | 2.358234 | 27 |
| 3 | 41 | 1 | 4 | 2.029631 | 2.029815 | 24 |
| 4 | 42 | 1 | 5 | 2.030017 | 2.030201 | 24 |
| 5 | 75 | 1 | 6 | 2.000690 | 2.000784 | 23 |
| 6 | 70 | 1 | 7 | 1.824609 | 1.824609 | 23 |
| 7 | 56 | 2 | 9 | 2.004159 | 2.004365 | 24 |
| 8 | 52 | 3 | 9 | 2.442166 | 2.442171 | 27 |
| 9 | 72 | 3 | 10 | 2.406072 | 2.406110 | 27 |
| 10 | 60 | 3 | 11 | 2.440396 | 2.440400 | 27 |
| 11 | 48 | 3 | 12 | 2.361087 | 2.361087 | 27 |
| 12 | 34 | 3 | 13 | 2.404253 | 2.404289 | 27 |
| 13 | 49 | 4 | 10 | 1.968778 | 1.969023 | 25 |
| 14 | 50 | 5 | 13 | 1.968782 | 1.969006 | 23 |
| 15 | 44 | 6 | 11 | 2.003559 | 2.003765 | 24 |
| 16 | 58 | 8 | 11 | 1.998720 | 1.998934 | 25 |
| 17 | 47 | 8 | 12 | 2.006379 | 2.006568 | 24 |
| 18 | 67 | 9 | 15 | 1.992903 | 1.993094 | 23 |
| 19 | 64 | 9 | 19 | 1.819868 | 1.819870 | 22 |
| 20 | 59 | 9 | 20 | 2.054440 | 2.054677 | 24 |
| 21 | 66 | 9 | 21 | 1.998246 | 1.998448 | 23 |
| 22 | 73 | 10 | 20 | 1.934064 | 1.934215 | 24 |
| 23 | 51 | 10 | 22 | 2.235591 | 2.235796 | 25 |
| 24 | 53 | 10 | 23 | 1.820754 | 1.820756 | 23 |
| 25 | 38 | 10 | 24 | 1.995279 | 1.995514 | 23 |
| 26 | 68 | 11 | 15 | 1.992254 | 1.992443 | 23 |
| 27 | 69 | 11 | 16 | 1.819938 | 1.819938 | 21 |
| 28 | 45 | 11 | 25 | 2.055726 | 2.055963 | 24 |
| 29 | 63 | 12 | 17 | 1.824652 | 1.824652 | 23 |
| 30 | 65 | 12 | 18 | 2.026923 | 2.027108 | 25 |
| 31 | 46 | 12 | 21 | 2.006431 | 2.006621 | 24 |
| 32 | 74 | 12 | 24 | 2.027627 | 2.027812 | 25 |
| 33 | 77 | 13 | 14 | 1.820804 | 1.820805 | 21 |
| 34 | 40 | 13 | 18 | 1.995778 | 1.996012 | 23 |
| 35 | 71 | 13 | 22 | 2.237594 | 2.237801 | 25 |
| 36 | 31 | 13 | 25 | 1.933592 | 1.933714 | 23 |
| 37 | 55 | 22 | 26 | 0.983340 | 0.983375 | 16 |
Timing
| Factor | |
|---|---|
| Cpu | 5468.89 |
| System | 441.86 |
| Elapsed | 6132.08 |
Report data
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