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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-21 11:03:29 +01:00
qp2/data/basis/d-aug-cc-pv5z

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2019-01-25 11:39:31 +01:00
HYDROGEN
S 4
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2 60.2400000 0.0021650
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S 1
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P 1
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P 1
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D 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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HELIUM
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BORON
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S 1
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S 1
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F 1
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G 1
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G 1
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H 1
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H 1
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H 1
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CARBON
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3 3300.0000000 0.0010000
4 935.8000000 0.0041830
5 306.2000000 0.0148590
6 111.3000000 0.0453010
7 43.9000000 0.1165040
8 18.4000000 0.2402490
9 8.0540000 0.3587990
10 3.6370000 0.2939410
S 10
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3 3300.0000000 -0.0002130
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7 43.9000000 -0.0263750
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S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 4
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P 1
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P 1
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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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G 1
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H 1
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H 1
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NITROGEN
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2 19350.0000000 0.0001970
3 4404.0000000 0.0010320
4 1248.0000000 0.0043250
5 408.0000000 0.0153800
6 148.2000000 0.0468670
7 58.5000000 0.1201160
8 24.5900000 0.2456950
9 10.8100000 0.3613790
10 4.8820000 0.2872830
S 10
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2 19350.0000000 -0.0000430
3 4404.0000000 -0.0002270
4 1248.0000000 -0.0009580
5 408.0000000 -0.0034160
6 148.2000000 -0.0106670
7 58.5000000 -0.0282790
8 24.5900000 -0.0640200
9 10.8100000 -0.1139320
10 4.8820000 -0.1469950
S 1
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S 1
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S 1
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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 34.7600000 0.0070820
3 11.0000000 0.0328160
4 3.9950000 0.1082090
P 1
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P 1
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P 1
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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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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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G 1
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H 1
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H 1
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H 1
1 0.3510000 1.0000000
OXYGEN
S 10
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2 24590.0000000 0.0002050
3 5592.0000000 0.0010760
4 1582.0000000 0.0045220
5 516.1000000 0.0161080
6 187.2000000 0.0490850
7 73.9300000 0.1248570
8 31.2200000 0.2516860
9 13.8100000 0.3624200
10 6.2560000 0.2790510
S 10
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2 24590.0000000 -0.0000460
3 5592.0000000 -0.0002440
4 1582.0000000 -0.0010310
5 516.1000000 -0.0036880
6 187.2000000 -0.0115140
7 73.9300000 -0.0304350
8 31.2200000 -0.0681470
9 13.8100000 -0.1203680
10 6.2560000 -0.1482600
S 1
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S 1
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S 1
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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 46.1600000 0.0073880
3 14.5800000 0.0349580
4 5.2960000 0.1154310
P 1
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P 1
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P 1
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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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D 1
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D 1
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D 1
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D 1
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D 1
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F 1
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F 1
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F 1
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F 1
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F 1
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G 1
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G 1
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G 1
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G 1
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H 1
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H 1
1 1.0240000 1.0000000
H 1
1 0.4520000 1.0000000
FLUORINE
S 10
1 211400.0000000 0.0000260
2 31660.0000000 0.0002010
3 7202.0000000 0.0010560
4 2040.0000000 0.0044320
5 666.4000000 0.0157660
6 242.0000000 0.0481120
7 95.5300000 0.1232320
8 40.2300000 0.2515190
9 17.7200000 0.3645250
10 8.0050000 0.2797660
S 10
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2 31660.0000000 -0.0000470
3 7202.0000000 -0.0002440
4 2040.0000000 -0.0010310
5 666.4000000 -0.0036830
6 242.0000000 -0.0115130
7 95.5300000 -0.0306630
8 40.2300000 -0.0695720
9 17.7200000 -0.1239920
10 8.0050000 -0.1502140
S 1
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S 1
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S 1
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S 1
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S 1
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S 1
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P 4
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P 1
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P 1
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P 1
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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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D 1
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D 1
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G 1
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G 1
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H 1
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H 1
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H 1
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NEON
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2 39350.0000000 0.0002000
3 8955.0000000 0.0010500
4 2538.0000000 0.0044000
5 829.9000000 0.0156490
6 301.5000000 0.0477580
7 119.0000000 0.1229430
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S 10
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7 119.0000000 -0.0310860
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P 1
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P 1
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P 1
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G 1
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