!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: pV6Z ! Description: V6Z5P Valence Sextuple Zeta + Polarization on All ! Atoms ! Role: orbital ! Version: 0 (Data from the original Basis Set Exchange) !---------------------------------------------------------------------- $DATA HYDROGEN S 10 1 1776.77556 0.000044 2 254.017712 0.000372 3 54.6980390 0.002094 4 15.0183440 0.008863 5 4.91507800 0.030540 6 1.79492400 0.090342 7 0.71071600 0.213239 8 0.30480200 0.352350 9 0.13804600 0.339657 10 0.06215700 0.107330 S 1 1 1.79492400 1.0 S 1 1 0.71071600 1.0 S 1 1 0.30480200 1.0 S 1 1 0.13804600 1.0 S 1 1 0.06215700 1.0 P 1 1 4.3950 1.000000 P 1 1 1.9950 1.000000 P 1 1 0.9060 1.000000 P 1 1 0.4110 1.0 P 1 1 0.1866 1.0 D 1 1 4.9740 1.000000 D 1 1 2.2150 1.000000 D 1 1 0.9860 1.000000 D 1 1 0.4390 1.0 F 1 1 3.6650 1.000000 F 1 1 1.6190 1.000000 F 1 1 0.7150 1.0 G 1 1 3.4480 1.0 G 1 1 1.3120 1.0 H 1 1 2.7580 1.0 CARBON S 11 1 312229.0 0.000006 2 46749.69 0.000044 3 10638.55 0.000232 4 3013.287 0.000979 5 983.0464 0.003550 6 354.8877 0.011439 7 138.4034 0.033002 8 57.36184 0.083996 9 24.92838 0.180684 10 11.22964 0.304989 11 5.201549 0.341288 S 11 1 312229.0 0.000001 2 46749.69 0.000009 3 10638.55 0.000049 4 3013.287 0.000209 5 983.0464 0.000760 6 354.8877 0.002454 7 138.4034 0.007202 8 57.36184 0.018795 9 24.92838 0.043249 10 11.22964 0.082621 11 5.201549 0.128518 S 1 1 2.426564 1.0 S 1 1 0.967344 1.0 S 1 1 0.445599 1.0 S 1 1 0.197122 1.0 S 1 1 0.086347 1.0 P 6 1 478.6415 0.000062 2 113.4184 0.000537 3 36.81623 0.002926 4 13.96492 0.011503 5 5.780787 0.035721 6 2.543594 0.093120 P 1 1 1.173779 1.0 P 1 1 0.553675 1.0 P 1 1 0.262173 1.0 P 1 1 0.123617 1.0 P 1 1 0.056671 1.0 D 1 1 5.5584 1.000000 D 1 1 2.316000 1.000000 D 1 1 0.965000 1.0 D 1 1 0.402083 1.0 D 1 1 0.167535 1.0 F 1 1 2.862909 1.000000 F 1 1 1.192879 1.000000 F 1 1 0.497033 1.0 F 1 1 0.207097 1.0 G 1 1 3.126000 1.000000 G 1 1 1.340000 1.000000 G 1 1 0.558333 1.0 H 1 1 1.905510 1.000000 H 1 1 0.793962 1.0 I 1 1 1.50900 1.0 NITROGEN S 11 1 432381.1 0.000006 2 64743.42 0.000043 3 14733.70 0.000229 4 4173.254 0.000965 5 1361.477 0.003500 6 491.5049 0.011284 7 191.6857 0.032599 8 79.45499 0.083230 9 34.54968 0.179930 10 15.58673 0.304955 11 7.235444 0.341159 S 11 1 432381.1 0.000001 2 64743.42 0.000010 3 14733.70 0.000050 4 4173.254 0.000213 5 1361.477 0.000775 6 491.5049 0.002504 7 191.6857 0.007362 8 79.45499 0.019286 9 34.54968 0.044699 10 15.58673 0.086048 11 7.235444 0.133249 S 1 1 3.383739 1.0 S 1 1 1.369728 1.0 S 1 1 0.625089 1.0 S 1 1 0.274819 1.0 S 1 1 0.119209 1.0 P 6 1 673.5556 0.000064 2 159.5845 0.000562 3 51.80170 0.003085 4 19.67343 0.012298 5 8.175345 0.038625 6 3.616131 0.099815 P 1 1 1.673414 1.0 P 1 1 0.789246 1.0 P 1 1 0.372339 1.0 P 1 1 0.174038 1.0 P 1 1 0.078681 1.0 D 1 1 7.678080 1.000000 D 1 1 3.199200 1.000000 D 1 1 1.333000 1.0 D 1 1 0.555417 1.0 D 1 1 0.231424 1.0 F 1 1 4.008073 1.000000 F 1 1 1.670030 1.000000 F 1 1 0.695846 1.0 F 1 1 0.289936 1.0 G 1 1 4.063200 1.000000 G 1 1 1.693000 1.000000 G 1 1 0.705417 1.0 H 1 1 2.779253 1.000000 H 1 1 1.158022 1.0 I 1 1 2.22200 1.0 OXYGEN S 16 1 570979.8 0.000006 2 85496.90 0.000043 3 19456.65 0.000227 4 5511.030 0.000957 5 1797.919 0.003472 6 649.0677 0.011196 7 253.1386 0.032375 8 104.9379 0.082835 9 45.65036 0.179668 10 20.61762 0.305201 11 9.586759 0.340889 12 4.492510 0.177422 13 1.836943 0.020470 14 0.834803 -0.000959 15 0.365722 0.001053 16 0.157034 -0.000096 S 16 1 570979.8 -0.000001 2 85496.90 -0.000010 3 19456.65 -0.000051 4 5511.030 -0.000217 5 1797.919 -0.000791 6 649.0677 -0.002559 7 253.1386 -0.007530 8 104.9379 -0.019782 9 45.65036 -0.046086 10 20.61762 -0.089189 11 9.586759 -0.137550 12 4.492510 -0.105108 13 1.836943 0.144784 14 0.834803 0.441600 15 0.365722 0.444545 16 0.157034 0.128232 S 1 1 4.492510 1.0 S 1 1 1.836943 1.0 S 1 1 0.834803 1.0 S 1 1 0.365722 1.0 S 1 1 0.157034 1.0 P 10 1 525.7638 0.000167 2 124.6306 0.001433 3 40.34300 0.007548 4 15.17831 0.028601 5 6.245039 0.084361 6 2.732624 0.187427 7 1.227200 0.297953 8 0.549190 0.338623 9 0.241776 0.247233 10 0.102505 0.070024 P 1 1 2.732624 1.0 P 1 1 1.227200 1.0 P 1 1 0.549190 1.0 P 1 1 0.241776 1.0 P 1 1 0.102505 1.0 D 1 1 7.7002 1.000000 D 1 1 3.3625 1.000000 D 1 1 1.4684 1.0 D 1 1 0.6412 1.0 D 1 1 0.2800 1.0 F 1 1 6.2537 1.000000 F 1 1 2.7084 1.000000 F 1 1 1.1729 1.0 F 1 1 0.5080 1.0 G 1 1 5.0017 1.000000 G 1 1 2.1158 1.000000 G 1 1 0.8950 1.0 H 1 1 4.0207 1.000000 H 1 1 1.5530 1.0 I 1 1 2.60 1.0 $END