GENERAL INFO
| Title: | /Ta Ta06O19-2H-iso-0 |
| Browse item: | https://iochem-bd.iciq.es:443/browse/handle/100/115998 |
| Program: | ADF 2019 |
| Author: | Buils, Jordi |
| Formula: | H2O19Ta6 |
| 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 | 0.32 |
| System | 0.04 |
| Elapsed | 0.38 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 1.22 |
| System | 0.03 |
| Elapsed | 1.29 |
JOB | SCF Converged
MOs Energies
Orbital Energies, all Irreps
Mulliken Atomic Charges
Timing
| Factor | |
|---|---|
| Cpu | 0.42 |
| System | 0.03 |
| Elapsed | 0.48 |
JOB | SCF Converged
Bonding Energy (Summary)
| Type | Value | Units |
|---|---|---|
| Electrostatic Energy | -175.0754 | eV |
| Kinetic Energy | 212.9871 | eV |
| Coulomb (Steric+OrbInt) Energy | -5.6001 | eV |
| XC Energy | -227.0213 | eV |
| Solvation | -52.9787 | eV |
| Total Bonding Energy | -247.6884 | eV |
Fit Test
Fit test: (difference of exact and fit density, squared integrated, result summed
over spins)
| Sum-of-Fragments: | 0.00000000028145 |
| Orthogonalized Fragments: | 0.00018389003295 |
| SCF: | 0.00014770134113 |
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 |
|---|---|---|---|
| -114.40362128 | -54.91293576 | -102.02837958 | 162.82938713 |
Quadrupole moment
| XX | YY | ZZ | XY | XZ | YZ |
|---|---|---|---|---|---|
| -160.28969878 | -231.01127864 | -460.51460254 | 226.14608005 | -221.19417466 | -65.85638127 |
Vibrational Frequencies and Intensities
IR spectrum
Selected frequency :
Zero Point Energy
| Zero-point | 2.206186 | eV |
Thermochemistry
| Temp | Transl | Rotat | Vibrat | Total | |
|---|---|---|---|---|---|
| 298.15 | Entropy (cal.mol-1.K-1): | 47.567 | 37.705 | 104.808 | 190.080 |
| Internal Energy (kcal.mol-1): | 0.889 | 0.889 | 68.452 | 70.229 | |
| Constant Volume Heat Capacity (cal.mol-1.K-1): | 2.981 | 2.981 | 106.634 | 112.596 | |
| G (kJ.mol-1 // kcal.mol-1) | -23839.1 // -5697.7 |
QTAIM
Geometry in the CP search
| Atom | x | y | z |
|---|---|---|---|
| Ta | 1.587521 | 1.686990 | 3.010240 |
| Ta | 4.426258 | 0.237374 | 1.855795 |
| Ta | 3.951083 | 3.595192 | 1.763935 |
| Ta | 4.012686 | 0.119813 | 5.218746 |
| Ta | 6.377484 | 2.027101 | 3.976278 |
| Ta | 3.539938 | 3.465534 | 5.118125 |
| O | 2.406505 | 0.307192 | 1.846088 |
| O | 3.980618 | 1.852426 | 3.491258 |
| O | 2.045168 | 3.102810 | 1.721398 |
| O | 1.682307 | 2.947066 | 4.517896 |
| O | 1.912695 | 0.138138 | 4.547114 |
| O | -0.185600 | 1.452902 | 2.750573 |
| O | 5.922098 | 0.600984 | 5.253768 |
| O | 3.195740 | 4.720006 | 6.384799 |
| O | 4.255288 | -0.885627 | 3.528911 |
| O | 3.895054 | -1.181291 | 6.467515 |
| O | 8.152699 | 2.253445 | 4.227512 |
| O | 5.559037 | 3.399087 | 5.123193 |
| O | 4.771814 | -1.016397 | 0.588420 |
| O | 4.438185 | 1.946852 | 0.776508 |
| O | 6.285403 | 0.754354 | 2.459381 |
| O | 3.715874 | 4.586134 | 3.446079 |
| O | 4.068246 | 4.889826 | 0.508656 |
| O | 6.072665 | 3.488931 | 2.352198 |
| O | 3.526740 | 1.758020 | 6.195016 |
| H | 6.410475 | 2.953813 | 1.601134 |
| H | 1.922461 | -0.656970 | 3.971350 |
Total CPs
| Type CP | Number |
|---|---|
| 3,-3 | 27 |
| 3,-1 | 38 |
| 3,+1 | 14 |
| 3,+3 | 2 |
CP type: (3,-3) Atom
| CP # | x | y | z | rho |
|---|---|---|---|---|
| 1 | 1.587521 | 1.686990 | 3.010240 | 0.3882647E+07 |
| 2 | 4.426258 | 0.237374 | 1.855795 | 0.3882647E+07 |
| 3 | 3.951083 | 3.595192 | 1.763935 | 0.3882647E+07 |
| 4 | 4.012686 | 0.119813 | 5.218746 | 0.3882647E+07 |
| 5 | 6.377484 | 2.027101 | 3.976278 | 0.3882647E+07 |
| 6 | 3.539938 | 3.465534 | 5.118125 | 0.3882647E+07 |
| 7 | 2.406505 | 0.307192 | 1.846088 | 0.3188627E+03 |
| 8 | 3.980618 | 1.852426 | 3.491258 | 0.3188033E+03 |
| 9 | 2.045168 | 3.102810 | 1.721398 | 0.3188760E+03 |
| 10 | 1.682307 | 2.947066 | 4.517896 | 0.3188666E+03 |
| 11 | 1.912695 | 0.138138 | 4.547114 | 0.3187004E+03 |
| 12 | -0.185600 | 1.452902 | 2.750573 | 0.3190753E+03 |
| 13 | 5.922098 | 0.600984 | 5.253768 | 0.3188761E+03 |
| 14 | 3.195740 | 4.720006 | 6.384799 | 0.3190570E+03 |
| 15 | 4.255288 | -0.885627 | 3.528911 | 0.3188628E+03 |
| 16 | 3.895054 | -1.181291 | 6.467515 | 0.3190755E+03 |
| 17 | 8.152699 | 2.253445 | 4.227512 | 0.3190753E+03 |
| 18 | 5.559037 | 3.399087 | 5.123193 | 0.3188666E+03 |
| 19 | 4.771814 | -1.016397 | 0.588420 | 0.3190552E+03 |
| 20 | 4.438185 | 1.946852 | 0.776508 | 0.3188622E+03 |
| 21 | 6.285403 | 0.754354 | 2.459381 | 0.3188624E+03 |
| 22 | 3.715874 | 4.586134 | 3.446079 | 0.3188664E+03 |
| 23 | 4.068246 | 4.889826 | 0.508656 | 0.3190757E+03 |
| 24 | 6.072665 | 3.488931 | 2.352198 | 0.3187025E+03 |
| 25 | 3.526740 | 1.758020 | 6.195016 | 0.3188661E+03 |
| 26 | 6.410475 | 2.953813 | 1.601134 | 0.4693637E+00 |
| 27 | 1.922461 | -0.656970 | 3.971350 | 0.4700079E+00 |
CP type: (3,-1) Bonds
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 28 | 3.949229 | -0.578453 | 5.888845 | 0.2029483E+00 | 0.7762095E+00 | 0.2237757E+01 | 0.6222188E+01 | 0.4661180E-02 | 0.3306066E+00 | -0.4671609E+00 | -0.1365542E+00 |
| 31 | 5.022695 | 0.383194 | 5.228838 | 0.1323581E+00 | 0.5342496E+00 | 0.9503283E+00 | 0.4433905E+01 | 0.6550068E-02 | 0.1877421E+00 | -0.2419218E+00 | -0.5417970E-01 |
| 34 | 6.217188 | 2.778594 | 3.126367 | 0.7490730E-01 | 0.2986735E+00 | 0.2721302E+00 | 0.3071072E+01 | 0.6667828E-01 | 0.8799758E-01 | -0.1013268E+00 | -0.1332920E-01 |
| 35 | 6.317050 | 1.355737 | 3.170735 | 0.1296792E+00 | 0.5195905E+00 | 0.8928079E+00 | 0.4406252E+01 | 0.1040064E-01 | 0.1819920E+00 | -0.2340864E+00 | -0.5209440E-01 |
| 36 | 5.403787 | 0.517139 | 2.181764 | 0.1170938E+00 | 0.4696226E+00 | 0.7224641E+00 | 0.4112322E+01 | 0.7163502E-02 | 0.1587387E+00 | -0.2000718E+00 | -0.4133308E-01 |
| 37 | 2.942806 | 3.326193 | 1.750178 | 0.1325148E+00 | 0.5348079E+00 | 0.9527023E+00 | 0.4438021E+01 | 0.6685269E-02 | 0.1880300E+00 | -0.2423581E+00 | -0.5432804E-01 |
| 38 | 1.649490 | 2.352090 | 3.812093 | 0.1342137E+00 | 0.5414505E+00 | 0.9707638E+00 | 0.4477640E+01 | 0.1547678E-01 | 0.1912593E+00 | -0.2471559E+00 | -0.5589663E-01 |
| 39 | 2.822233 | 1.776965 | 3.254680 | 0.4419565E-01 | 0.1720720E+00 | 0.7165078E-01 | 0.2212426E+01 | 0.3986474E-01 | 0.4454103E-01 | -0.4606406E-01 | -0.1523023E-02 |
| 41 | 4.014249 | 4.290008 | 1.090328 | 0.2030489E+00 | 0.7758589E+00 | 0.2238346E+01 | 0.6230145E+01 | 0.4623266E-02 | 0.3307145E+00 | -0.4674643E+00 | -0.1367498E+00 |
| 42 | 4.606108 | 3.422227 | 5.114088 | 0.1174838E+00 | 0.4715041E+00 | 0.7301641E+00 | 0.4118677E+01 | 0.1178712E-01 | 0.1594996E+00 | -0.2011231E+00 | -0.4162354E-01 |
| 44 | 5.053643 | 3.530723 | 2.065400 | 0.7530710E-01 | 0.3001132E+00 | 0.2752558E+00 | 0.3083576E+01 | 0.6712229E-01 | 0.8857811E-01 | -0.1021279E+00 | -0.1354981E-01 |
| 46 | 4.001890 | 1.014607 | 4.328876 | 0.4416924E-01 | 0.1719514E+00 | 0.7153508E-01 | 0.2211774E+01 | 0.3973600E-01 | 0.4450513E-01 | -0.4602241E-01 | -0.1517285E-02 |
| 47 | 0.635965 | 1.561126 | 2.871128 | 0.2029429E+00 | 0.7761495E+00 | 0.2237523E+01 | 0.6222393E+01 | 0.4679600E-02 | 0.3305877E+00 | -0.4671381E+00 | -0.1365503E+00 |
| 48 | 1.841537 | 2.437125 | 2.330883 | 0.1326517E+00 | 0.5354647E+00 | 0.9550535E+00 | 0.4440213E+01 | 0.6949343E-02 | 0.1883098E+00 | -0.2427535E+00 | -0.5444366E-01 |
| 49 | 2.562937 | 3.185693 | 4.793404 | 0.1175921E+00 | 0.4718257E+00 | 0.7314409E+00 | 0.4122195E+01 | 0.1158413E-01 | 0.1596775E+00 | -0.2013986E+00 | -0.4172110E-01 |
| 50 | 3.960253 | 2.696162 | 2.654010 | 0.4348845E-01 | 0.1689312E+00 | 0.6873529E-01 | 0.2193781E+01 | 0.4135275E-01 | 0.4359678E-01 | -0.4496076E-01 | -0.1363988E-02 |
| 51 | 3.768862 | 2.627933 | 4.273211 | 0.5626613E-01 | 0.2311961E+00 | 0.1367498E+00 | 0.2462508E+01 | 0.6140577E-02 | 0.6225445E-01 | -0.6670987E-01 | -0.4455423E-02 |
| 53 | 3.536163 | 2.558186 | 5.678437 | 0.1179069E+00 | 0.4731141E+00 | 0.7358777E+00 | 0.4129325E+01 | 0.1127845E-01 | 0.1602541E+00 | -0.2022297E+00 | -0.4197557E-01 |
| 56 | 4.194990 | 1.075701 | 2.704623 | 0.5510020E-01 | 0.2264018E+00 | 0.1304600E+00 | 0.2428410E+01 | 0.5332864E-02 | 0.6064181E-01 | -0.6468318E-01 | -0.4041363E-02 |
| 57 | 3.829791 | 4.110925 | 2.662712 | 0.1344532E+00 | 0.5423612E+00 | 0.9744656E+00 | 0.4483424E+01 | 0.1549354E-01 | 0.1917117E+00 | -0.2478330E+00 | -0.5612137E-01 |
| 58 | 3.633554 | 4.048556 | 4.229170 | 0.1173863E+00 | 0.4711876E+00 | 0.7289976E+00 | 0.4115744E+01 | 0.1198104E-01 | 0.1593349E+00 | -0.2008729E+00 | -0.4153801E-01 |
| 60 | 5.140957 | 1.933017 | 3.730823 | 0.4370531E-01 | 0.1698787E+00 | 0.6960825E-01 | 0.2199706E+01 | 0.4079702E-01 | 0.4388324E-01 | -0.4529681E-01 | -0.1413574E-02 |
| 63 | 7.330179 | 2.148805 | 4.110886 | 0.2030172E+00 | 0.7758671E+00 | 0.2237923E+01 | 0.6228456E+01 | 0.4655660E-02 | 0.3306635E+00 | -0.4673601E+00 | -0.1366967E+00 |
| 66 | 1.761754 | 0.876746 | 3.801278 | 0.7493269E-01 | 0.2988518E+00 | 0.2725277E+00 | 0.3070974E+01 | 0.6683300E-01 | 0.8804889E-01 | -0.1013848E+00 | -0.1333594E-01 |
| 67 | 2.924983 | 0.124956 | 4.860615 | 0.7515479E-01 | 0.2996987E+00 | 0.2743536E+00 | 0.3077438E+01 | 0.6714163E-01 | 0.8837914E-01 | -0.1018336E+00 | -0.1345445E-01 |
| 68 | 3.359856 | 0.281985 | 1.858092 | 0.1173619E+00 | 0.4706679E+00 | 0.7260899E+00 | 0.4118862E+01 | 0.7052229E-02 | 0.1592203E+00 | -0.2007737E+00 | -0.4155336E-01 |
| 69 | 4.211072 | 2.716066 | 1.251274 | 0.1296758E+00 | 0.5196609E+00 | 0.8928893E+00 | 0.4405460E+01 | 0.1014211E-01 | 0.1819996E+00 | -0.2340839E+00 | -0.5208432E-01 |
| 70 | 4.611502 | -0.434738 | 1.176389 | 0.1981590E+00 | 0.7711812E+00 | 0.2157216E+01 | 0.6018379E+01 | 0.5943001E-03 | 0.3219161E+00 | -0.4510369E+00 | -0.1291208E+00 |
| 71 | 6.124593 | 1.271802 | 4.649971 | 0.1328180E+00 | 0.5361052E+00 | 0.9575582E+00 | 0.4444176E+01 | 0.7016328E-02 | 0.1886236E+00 | -0.2432209E+00 | -0.5459732E-01 |
| 72 | 3.355413 | 4.138039 | 5.797183 | 0.1983010E+00 | 0.7729482E+00 | 0.2162271E+01 | 0.6011795E+01 | 0.1076759E-02 | 0.3224416E+00 | -0.4516462E+00 | -0.1292046E+00 |
| 73 | 4.334451 | -0.346741 | 2.745087 | 0.1169773E+00 | 0.4690796E+00 | 0.7208238E+00 | 0.4110260E+01 | 0.7482643E-02 | 0.1585149E+00 | -0.1997599E+00 | -0.4124500E-01 |
| 74 | 4.138219 | -0.403052 | 4.316970 | 0.1299925E+00 | 0.5210457E+00 | 0.8979897E+00 | 0.4411654E+01 | 0.1105892E-01 | 0.1826190E+00 | -0.2349766E+00 | -0.5235758E-01 |
| 76 | 6.332569 | 3.076228 | 1.773612 | 0.3360758E+00 | -0.1668818E+01 | 0.6120244E+01 | -0.6708103E+01 | 0.7406901E-03 | 0.1883054E+00 | -0.7938153E+00 | -0.6055099E+00 |
| 77 | 4.430153 | 1.145711 | 1.294705 | 0.1171301E+00 | 0.4698358E+00 | 0.7230812E+00 | 0.4112585E+01 | 0.7111511E-02 | 0.1588159E+00 | -0.2001729E+00 | -0.4135699E-01 |
| 78 | 5.932761 | 2.753997 | 4.578355 | 0.1343926E+00 | 0.5421740E+00 | 0.9735479E+00 | 0.4481604E+01 | 0.1552756E-01 | 0.1916044E+00 | -0.2476653E+00 | -0.5606088E-01 |
| 79 | 3.752585 | 0.994496 | 5.725916 | 0.1339444E+00 | 0.5403467E+00 | 0.9665304E+00 | 0.4471793E+01 | 0.1517066E-01 | 0.1907377E+00 | -0.2463888E+00 | -0.5565105E-01 |
| 80 | 2.031975 | 0.957079 | 2.399409 | 0.1296286E+00 | 0.5195450E+00 | 0.8923886E+00 | 0.4403773E+01 | 0.1072130E-01 | 0.1819224E+00 | -0.2339586E+00 | -0.5203618E-01 |
| 81 | 1.920694 | -0.474114 | 4.103246 | 0.3363949E+00 | -0.1669633E+01 | 0.6133051E+01 | -0.6715439E+01 | 0.7601993E-03 | 0.1889078E+00 | -0.7952239E+00 | -0.6063161E+00 |
CP type: (3,+1) Cycle
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 29 | 3.142371 | 1.138741 | 2.692227 | 0.2574715E-01 | 0.8238944E-01 | 0.9404182E-02 | 0.1877689E+01 | -0.4012942E+01 | 0.2017748E-01 | -0.1975760E-01 | 0.4198813E-03 |
| 30 | 2.923739 | -0.017012 | 3.327519 | 0.1183074E-01 | 0.4880938E-01 | 0.1349684E-02 | 0.8672213E+00 | -0.1117419E+01 | 0.9898586E-02 | -0.7594826E-02 | 0.2303759E-02 |
| 33 | 5.161890 | 1.340371 | 3.048789 | 0.2564604E-01 | 0.8199497E-01 | 0.9293016E-02 | 0.1874389E+01 | -0.3962349E+01 | 0.2006960E-01 | -0.1964046E-01 | 0.4291430E-03 |
| 40 | 2.804010 | 2.366367 | 3.932278 | 0.2607677E-01 | 0.8370212E-01 | 0.9712445E-02 | 0.1887845E+01 | -0.3995484E+01 | 0.2053438E-01 | -0.2014323E-01 | 0.3911489E-03 |
| 43 | 4.827772 | 2.561795 | 4.282144 | 0.2596984E-01 | 0.8327239E-01 | 0.9584714E-02 | 0.1884636E+01 | -0.3928822E+01 | 0.2041782E-01 | -0.2001754E-01 | 0.4002766E-03 |
| 45 | 5.028164 | 2.660585 | 2.911835 | 0.1894362E-01 | 0.5939757E-01 | 0.4864811E-02 | 0.1561767E+01 | -0.4018454E+01 | 0.1376481E-01 | -0.1268022E-01 | 0.1084583E-02 |
| 52 | 3.790194 | 1.727783 | 4.828980 | 0.2610576E-01 | 0.8391961E-01 | 0.9765400E-02 | 0.1886443E+01 | -0.4009829E+01 | 0.2058283E-01 | -0.2018576E-01 | 0.3970709E-03 |
| 54 | 4.173817 | 1.980865 | 2.149155 | 0.2559880E-01 | 0.8180526E-01 | 0.9237834E-02 | 0.1872972E+01 | -0.3931107E+01 | 0.2001833E-01 | -0.1958535E-01 | 0.4329828E-03 |
| 55 | 3.839150 | 3.199138 | 3.378311 | 0.2594325E-01 | 0.8324697E-01 | 0.9572836E-02 | 0.1881996E+01 | -0.3921720E+01 | 0.2040243E-01 | -0.1999312E-01 | 0.4093129E-03 |
| 61 | 5.513491 | 2.055043 | 1.950750 | 0.1196486E-01 | 0.4961748E-01 | 0.1404579E-02 | 0.8692765E+00 | -0.1123464E+01 | 0.1006672E-01 | -0.7729065E-02 | 0.2337652E-02 |
| 62 | 4.935809 | 1.241146 | 4.356915 | 0.2263599E-01 | 0.6529091E-01 | 0.5147886E-02 | 0.1911729E+01 | -0.2358572E+01 | 0.1608259E-01 | -0.1584245E-01 | 0.2401380E-03 |
| 64 | 3.034133 | 2.471613 | 2.621665 | 0.2261162E-01 | 0.6524405E-01 | 0.5144453E-02 | 0.1909670E+01 | -0.2363780E+01 | 0.1606545E-01 | -0.1581989E-01 | 0.2455611E-03 |
| 65 | 2.949593 | 0.984689 | 4.007376 | 0.1906274E-01 | 0.5985555E-01 | 0.4947176E-02 | 0.1566093E+01 | -0.4026976E+01 | 0.1388173E-01 | -0.1279958E-01 | 0.1082156E-02 |
| 75 | 4.126982 | 0.503288 | 3.586841 | 0.2573838E-01 | 0.8235727E-01 | 0.9402728E-02 | 0.1877356E+01 | -0.4029403E+01 | 0.2016846E-01 | -0.1974760E-01 | 0.4208599E-03 |
CP type: (3,+3) Cage
| CP # | x | y | z | rho | Laplacian | Diamond | Metallicity | Ellipticity | Gb | Vb | Hb |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 32 | 3.064231 | 0.290493 | 3.390917 | 0.1156638E-01 | 0.4414585E-01 | 0.8015741E-03 | 0.9233913E+00 | -0.7559430E+00 | 0.9056137E-02 | -0.7075812E-02 | 0.1980325E-02 |
| 59 | 5.259505 | 2.069247 | 2.239507 | 0.1160243E-01 | 0.4420503E-01 | 0.7878943E-03 | 0.9269504E+00 | -0.7230190E+00 | 0.9074833E-02 | -0.7098409E-02 | 0.1976425E-02 |
Bond paths
| #BP | #CP | Atom | Atom | Distance | BP Length | BP Steps |
|---|---|---|---|---|---|---|
| 1 | 80 | 1 | 2 | 1.982380 | 1.982637 | 23 |
| 2 | 39 | 1 | 3 | 2.446561 | 2.446611 | 27 |
| 3 | 48 | 1 | 4 | 1.968528 | 1.968739 | 23 |
| 4 | 38 | 1 | 5 | 1.967181 | 1.967457 | 25 |
| 5 | 66 | 1 | 6 | 2.206051 | 2.206279 | 25 |
| 6 | 47 | 1 | 7 | 1.807258 | 1.807260 | 21 |
| 7 | 68 | 2 | 9 | 2.020982 | 2.021171 | 24 |
| 8 | 56 | 3 | 9 | 2.341309 | 2.341309 | 27 |
| 9 | 50 | 3 | 10 | 2.453926 | 2.453976 | 27 |
| 10 | 46 | 3 | 11 | 2.446873 | 2.446923 | 27 |
| 11 | 60 | 3 | 12 | 2.451678 | 2.451728 | 27 |
| 12 | 51 | 3 | 13 | 2.333027 | 2.333027 | 27 |
| 13 | 37 | 4 | 10 | 1.968949 | 1.969159 | 23 |
| 14 | 49 | 5 | 13 | 2.019871 | 2.020056 | 26 |
| 15 | 67 | 6 | 11 | 2.204856 | 2.205085 | 25 |
| 16 | 81 | 6 | 27 | 0.981731 | 0.981764 | 15 |
| 17 | 31 | 8 | 11 | 1.969417 | 1.969627 | 23 |
| 18 | 71 | 8 | 12 | 1.968037 | 1.968244 | 23 |
| 19 | 73 | 9 | 15 | 2.022295 | 2.022484 | 24 |
| 20 | 70 | 9 | 19 | 1.815928 | 1.815928 | 22 |
| 21 | 77 | 9 | 20 | 2.021712 | 2.021901 | 24 |
| 22 | 36 | 9 | 21 | 2.021882 | 2.022072 | 24 |
| 23 | 69 | 10 | 20 | 1.982247 | 1.982508 | 24 |
| 24 | 57 | 10 | 22 | 1.966443 | 1.966694 | 23 |
| 25 | 41 | 10 | 23 | 1.807077 | 1.807078 | 21 |
| 26 | 44 | 10 | 24 | 2.204190 | 2.204445 | 27 |
| 27 | 74 | 11 | 15 | 1.981239 | 1.981494 | 23 |
| 28 | 28 | 11 | 16 | 1.807244 | 1.807245 | 21 |
| 29 | 79 | 11 | 25 | 1.967986 | 1.968239 | 23 |
| 30 | 63 | 12 | 17 | 1.807135 | 1.807134 | 23 |
| 31 | 78 | 12 | 18 | 1.966626 | 1.966902 | 25 |
| 32 | 35 | 12 | 21 | 1.982256 | 1.982518 | 24 |
| 33 | 34 | 12 | 24 | 2.206241 | 2.206462 | 25 |
| 34 | 72 | 13 | 14 | 1.815664 | 1.815665 | 23 |
| 35 | 42 | 13 | 18 | 2.020198 | 2.020384 | 25 |
| 36 | 58 | 13 | 22 | 2.020503 | 2.020689 | 25 |
| 37 | 53 | 13 | 25 | 2.018781 | 2.018991 | 25 |
| 38 | 76 | 24 | 26 | 0.982123 | 0.982155 | 17 |
Timing
| Factor | |
|---|---|
| Cpu | 4744.59 |
| System | 394.02 |
| Elapsed | 5315.40 |
Report data
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