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QuantumPackage/data/basis/tzvp

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Initial commit
2019-01-25 11:39:31 +01:00
HYDROGEN
S 3
1 50.9991780 0.0096605
2 7.4832181 0.0737289
3 1.7774676 0.2958581
S 1
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S 1
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P 1
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CARBON
S 7
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2 869.3035000 0.0062935
3 198.5116400 0.0317812
4 56.4299010 0.1172734
5 18.2854570 0.3034763
6 6.4487146 0.4535214
7 2.3418596 0.2430591
S 1
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S 1
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S 1
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P 4
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2 7.8638954 0.0406403
3 2.3445193 0.1550219
4 0.7961715 0.3531444
P 1
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P 1
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D 1
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NITROGEN
S 7
1 8104.1761000 0.0007969
2 1217.3138000 0.0061289
3 277.7399300 0.0310471
4 78.8475980 0.1153682
5 25.5371610 0.3025738
6 9.0045711 0.4557913
7 3.2835278 0.2430208
S 1
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S 1
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P 4
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P 1
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OXYGEN
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2 1623.7532000 0.0060102
3 370.1827400 0.0305222
4 104.9747500 0.1140089
5 33.9844220 0.3019574
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7 4.3859704 0.2432478
S 1
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S 1
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S 1
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P 4
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4 1.4766043 0.3666115
P 1
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P 1
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D 1
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FLUORINE
S 7
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3 467.6871200 0.0307289
4 132.7635000 0.1146453
5 43.0763810 0.3037706
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S 1
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S 1
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P 1
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P 1
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D 1
1 1.0000000 1.0000000
ALUMINUM
S 7
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2 5334.3620000 0.0047091
3 1199.0892000 0.0245538
4 334.0744700 0.0967110
5 106.1290600 0.2768191
6 36.8828020 0.4645259
7 13.3326880 0.2814003
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S 1
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S 1
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P 6
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3 20.3217950 0.1262028
4 7.0858235 0.3283870
5 2.5222104 0.4712921
6 0.8630686 0.2733518
P 1
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P 1
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P 1
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D 1
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SILICON
S 7
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2 6264.1129000 -0.0046483
3 1407.8552000 -0.0242470
4 392.2039600 -0.0956786
5 124.6268800 -0.2748168
6 43.3672480 -0.4640238
7 15.7102370 -0.2847122
S 3
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S 1
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6 1.1380729 0.2774066
P 1
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P 1
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P 1
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D 1
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PHOSPHORUS
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3 1632.6022000 -0.0239864
4 454.9823000 -0.0947864
5 144.6226000 -0.2730769
6 50.3827230 -0.4635665
7 18.2866900 -0.2875813
S 3
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S 1
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S 1
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S 1
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P 6
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6 1.4423814 -0.2800161
P 1
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P 1
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P 1
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D 1
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SULFUR
S 7
1 56415.5800000 -0.0005778
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3 1876.3041000 -0.0237472
4 522.7321600 -0.0939807
5 166.1749100 -0.2715021
6 57.9454220 -0.4631538
7 21.0667450 -0.2901939
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S 1
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P 6
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P 1
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P 1
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P 1
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D 1
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CHLORINE
S 7
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2 9525.9870000 -0.0044851
3 2146.3116000 -0.0233937
4 598.0274100 -0.0928049
5 190.0285500 -0.2693196
6 66.2619630 -0.4629613
7 24.0966080 -0.2937123
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S 1
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S 1
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P 6
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6 2.0902390 -0.2717695
P 1
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P 1
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P 1
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D 1
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ARGON
S 7
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2 10643.4330000 -0.0045044
3 2402.5448000 -0.0234452
4 670.3890600 -0.0928603
5 213.3600100 -0.2691955
6 74.5580880 -0.4623268
7 27.1996410 -0.2939969
S 3
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2 6.3703543 -0.5988462
3 2.4160646 -0.4755397
S 1
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S 1
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S 1
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P 6
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6 2.5182546 0.2816344
P 1
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P 1
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P 1
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D 1
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