!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 2.1.0+44.g1191679.dirty ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: d-aug-cc-pVDZ ! Description: VDZ2PD Valence Double Zeta + Polarization + Diffuse ! Role: orbital ! Version: 0 (Data from the original Basis Set Exchange) !---------------------------------------------------------------------- $DATA HYDROGEN S 4 1 13.0100000 0.0196850 2 1.9620000 0.1379770 3 0.4446000 0.4781480 4 0.1220000 0.5012400 S 1 1 0.1220000 1.0000000 S 1 1 0.0297400 1.0000000 S 1 1 0.00725 1.000000 P 1 1 0.7270000 1.0000000 P 1 1 0.1410000 1.0000000 P 1 1 0.02730 1.000000 HELIUM S 4 1 38.3600000 0.0238090 2 5.7700000 0.1548910 3 1.2400000 0.4699870 4 0.2976000 0.5130270 S 1 1 0.2976000 1.0000000 S 1 1 0.0725500 1.0000000 S 1 1 0.0177 1.000000 P 1 1 1.2750000 1.0000000 P 1 1 0.2473000 1.0000000 P 1 1 0.0480 1.000000 BORON S 9 1 4570.0000000 0.0006960 2 685.9000000 0.0053530 3 156.5000000 0.0271340 4 44.4700000 0.1013800 5 14.4800000 0.2720550 6 5.1310000 0.4484030 7 1.8980000 0.2901230 8 0.3329000 0.0143220 9 0.1043000 -0.0034860 S 9 1 4570.0000000 -0.0001390 2 685.9000000 -0.0010970 3 156.5000000 -0.0054440 4 44.4700000 -0.0219160 5 14.4800000 -0.0597510 6 5.1310000 -0.1387320 7 1.8980000 -0.1314820 8 0.3329000 0.5395260 9 0.1043000 0.5807740 S 1 1 0.1043000 1.0000000 S 1 1 0.0310500 1.0000000 S 1 1 0.00924 1.000000 P 4 1 6.0010000 0.0354810 2 1.2410000 0.1980720 3 0.3364000 0.5052300 4 0.0953800 0.4794990 P 1 1 0.0953800 1.0000000 P 1 1 0.0237800 1.0000000 P 1 1 0.00593 1.000000 D 1 1 0.3430000 1.0000000 D 1 1 0.0904000 1.0000000 D 1 1 0.02380 1.000000 CARBON S 9 1 6665.0000000 0.0006920 2 1000.0000000 0.0053290 3 228.0000000 0.0270770 4 64.7100000 0.1017180 5 21.0600000 0.2747400 6 7.4950000 0.4485640 7 2.7970000 0.2850740 8 0.5215000 0.0152040 9 0.1596000 -0.0031910 S 9 1 6665.0000000 -0.0001460 2 1000.0000000 -0.0011540 3 228.0000000 -0.0057250 4 64.7100000 -0.0233120 5 21.0600000 -0.0639550 6 7.4950000 -0.1499810 7 2.7970000 -0.1272620 8 0.5215000 0.5445290 9 0.1596000 0.5804960 S 1 1 0.1596000 1.0000000 S 1 1 0.0469000 1.0000000 S 1 1 0.0138 1.000000 P 4 1 9.4390000 0.0381090 2 2.0020000 0.2094800 3 0.5456000 0.5085570 4 0.1517000 0.4688420 P 1 1 0.1517000 1.0000000 P 1 1 0.0404100 1.0000000 P 1 1 0.0108 1.000000 D 1 1 0.5500000 1.0000000 D 1 1 0.1510000 1.0000000 D 1 1 0.0415 1.000000 NITROGEN S 9 1 9046.0000000 0.0007000 2 1357.0000000 0.0053890 3 309.3000000 0.0274060 4 87.7300000 0.1032070 5 28.5600000 0.2787230 6 10.2100000 0.4485400 7 3.8380000 0.2782380 8 0.7466000 0.0154400 9 0.2248000 -0.0028640 S 9 1 9046.0000000 -0.0001530 2 1357.0000000 -0.0012080 3 309.3000000 -0.0059920 4 87.7300000 -0.0245440 5 28.5600000 -0.0674590 6 10.2100000 -0.1580780 7 3.8380000 -0.1218310 8 0.7466000 0.5490030 9 0.2248000 0.5788150 S 1 1 0.2248000 1.0000000 S 1 1 0.0612400 1.0000000 S 1 1 0.0167 1.000000 P 4 1 13.5500000 0.0399190 2 2.9170000 0.2171690 3 0.7973000 0.5103190 4 0.2185000 0.4622140 P 1 1 0.2185000 1.0000000 P 1 1 0.0561100 1.0000000 P 1 1 0.0144 1.000000 D 1 1 0.8170000 1.0000000 D 1 1 0.2300000 1.0000000 D 1 1 0.0647 1.000000 OXYGEN S 9 1 11720.0000000 0.0007100 2 1759.0000000 0.0054700 3 400.8000000 0.0278370 4 113.7000000 0.1048000 5 37.0300000 0.2830620 6 13.2700000 0.4487190 7 5.0250000 0.2709520 8 1.0130000 0.0154580 9 0.3023000 -0.0025850 S 9 1 11720.0000000 -0.0001600 2 1759.0000000 -0.0012630 3 400.8000000 -0.0062670 4 113.7000000 -0.0257160 5 37.0300000 -0.0709240 6 13.2700000 -0.1654110 7 5.0250000 -0.1169550 8 1.0130000 0.5573680 9 0.3023000 0.5727590 S 1 1 0.3023000 1.0000000 S 1 1 0.0789600 1.0000000 S 1 1 0.0206 1.000000 P 4 1 17.7000000 0.0430180 2 3.8540000 0.2289130 3 1.0460000 0.5087280 4 0.2753000 0.4605310 P 1 1 0.2753000 1.0000000 P 1 1 0.0685600 1.0000000 P 1 1 0.0171 1.000000 D 1 1 1.1850000 1.0000000 D 1 1 0.3320000 1.0000000 D 1 1 0.0930 1.000000 FLUORINE S 9 1 14710.0000000 0.0007210 2 2207.0000000 0.0055530 3 502.8000000 0.0282670 4 142.6000000 0.1064440 5 46.4700000 0.2868140 6 16.7000000 0.4486410 7 6.3560000 0.2647610 8 1.3160000 0.0153330 9 0.3897000 -0.0023320 S 9 1 14710.0000000 -0.0001650 2 2207.0000000 -0.0013080 3 502.8000000 -0.0064950 4 142.6000000 -0.0266910 5 46.4700000 -0.0736900 6 16.7000000 -0.1707760 7 6.3560000 -0.1123270 8 1.3160000 0.5628140 9 0.3897000 0.5687780 S 1 1 0.3897000 1.0000000 S 1 1 0.0986300 1.0000000 S 1 1 0.0250 1.000000 P 4 1 22.6700000 0.0448780 2 4.9770000 0.2357180 3 1.3470000 0.5085210 4 0.3471000 0.4581200 P 1 1 0.3471000 1.0000000 P 1 1 0.0850200 1.0000000 P 1 1 0.0208 1.000000 D 1 1 1.6400000 1.0000000 D 1 1 0.4640000 1.0000000 D 1 1 0.1310 1.000000 NEON S 9 1 17880.0000000 0.0007380 2 2683.0000000 0.0056770 3 611.5000000 0.0288830 4 173.5000000 0.1085400 5 56.6400000 0.2909070 6 20.4200000 0.4483240 7 7.8100000 0.2580260 8 1.6530000 0.0150630 9 0.4869000 -0.0021000 S 9 1 17880.0000000 -0.0001720 2 2683.0000000 -0.0013570 3 611.5000000 -0.0067370 4 173.5000000 -0.0276630 5 56.6400000 -0.0762080 6 20.4200000 -0.1752270 7 7.8100000 -0.1070380 8 1.6530000 0.5670500 9 0.4869000 0.5652160 S 1 1 0.4869000 1.0000000 S 1 1 0.1230000 1.0000000 S 1 1 0.0311 1.000000 P 4 1 28.3900000 0.0460870 2 6.2700000 0.2401810 3 1.6950000 0.5087440 4 0.4317000 0.4556600 P 1 1 0.4317000 1.0000000 P 1 1 0.1064000 1.0000000 P 1 1 0.0262 1.000000 D 1 1 2.2020000 1.0000000 D 1 1 0.6310000 1.0000000 D 1 1 0.1810 1.000000 $END