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QuantumPackage/data/basis/d-aug-cc-pv5z

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!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
! Basis set: d-aug-cc-pV5Z
! Description: V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse
! Role: orbital
! Version: 0 (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------
$DATA
HYDROGEN
S 8
1 402.0000000 0.0002790
2 60.2400000 0.0021650
3 13.7300000 0.0112010
4 3.9050000 0.0448780
5 1.2830000 0.1422990
6 0.4655000 0.3309790
7 0.1811000 0.4362690
8 0.0727900 0.1764400
S 1
1 1.2830000 1.0000000
S 1
1 0.4655000 1.0000000
S 1
1 0.1811000 1.0000000
S 1
1 0.0727900 1.0000000
S 1
1 0.0207000 1.0000000
S 1
1 0.00589 1.0000
P 1
1 4.5160000 1.0000000
P 1
1 1.7120000 1.0000000
P 1
1 0.6490000 1.0000000
P 1
1 0.2460000 1.0000000
P 1
1 0.0744000 1.0000000
P 1
1 0.0225 1.0000
D 1
1 2.9500000 1.0000000
D 1
1 1.2060000 1.0000000
D 1
1 0.4930000 1.0000000
D 1
1 0.1560000 1.0000000
D 1
1 0.0494 1.0000
F 1
1 2.5060000 1.0000000
F 1
1 0.8750000 1.0000000
F 1
1 0.2740000 1.0000000
F 1
1 0.0858 1.0000
G 1
1 2.3580000 1.0000000
G 1
1 0.5430000 1.0000000
G 1
1 0.1250 1.0000
HELIUM
S 8
1 1145.0000000 0.0003590
2 171.7000000 0.0027710
3 39.0700000 0.0142510
4 11.0400000 0.0555660
5 3.5660000 0.1620910
6 1.2400000 0.3321970
7 0.4473000 0.4196150
8 0.1640000 0.1861280
S 1
1 3.5660000 1.0000000
S 1
1 1.2400000 1.0000000
S 1
1 0.4473000 1.0000000
S 1
1 0.1640000 1.0000000
S 1
1 0.0466400 1.0000000
S 1
1 0.0133 1.0000
P 1
1 10.1530000 1.0000000
P 1
1 3.6270000 1.0000000
P 1
1 1.2960000 1.0000000
P 1
1 0.4630000 1.0000000
P 1
1 0.1400000 1.0000000
P 1
1 0.0423 1.0000
D 1
1 7.6660000 1.0000000
D 1
1 2.6470000 1.0000000
D 1
1 0.9140000 1.0000000
D 1
1 0.2892000 1.0000000
D 1
1 0.0915 1.0000
F 1
1 5.4110000 1.0000000
F 1
1 1.7070000 1.0000000
F 1
1 0.5345000 1.0000000
F 1
1 0.1670 1.0000
G 1
1 3.4300000 1.0000000
G 1
1 0.7899000 1.0000000
G 1
1 0.1820 1.0000
BORON
S 14
1 68260.0000000 0.0000240
2 10230.0000000 0.0001850
3 2328.0000000 0.0009700
4 660.4000000 0.0040560
5 216.2000000 0.0143990
6 78.6000000 0.0439010
7 30.9800000 0.1130570
8 12.9600000 0.2338250
9 5.6590000 0.3539600
10 2.5560000 0.3015470
11 1.1750000 0.0875210
12 0.4249000 0.0028190
13 0.1712000 0.0000430
14 0.0691300 0.0000780
S 14
1 68260.0000000 -0.0000050
2 10230.0000000 -0.0000370
3 2328.0000000 -0.0001960
4 660.4000000 -0.0008240
5 216.2000000 -0.0029230
6 78.6000000 -0.0091380
7 30.9800000 -0.0241050
8 12.9600000 -0.0547550
9 5.6590000 -0.0969430
10 2.5560000 -0.1374850
11 1.1750000 -0.0445650
12 0.4249000 0.3243450
13 0.1712000 0.5704140
14 0.0691300 0.2434440
S 1
1 1.1750000 1.0000000
S 1
1 0.4249000 1.0000000
S 1
1 0.1712000 1.0000000
S 1
1 0.0691300 1.0000000
S 1
1 0.0261000 1.0000000
S 1
1 0.00985 1.0000
P 8
1 66.4400000 0.0008380
2 15.7100000 0.0064090
3 4.9360000 0.0280810
4 1.7700000 0.0921520
5 0.7008000 0.2241640
6 0.2901000 0.3699150
7 0.1211000 0.3744410
8 0.0497300 0.1390860
P 1
1 0.7008000 1.0000000
P 1
1 0.2901000 1.0000000
P 1
1 0.1211000 1.0000000
P 1
1 0.0497300 1.0000000
P 1
1 0.0157000 1.0000000
P 1
1 0.00496 1.0000
D 1
1 2.0100000 1.0000000
D 1
1 0.7960000 1.0000000
D 1
1 0.3160000 1.0000000
D 1
1 0.1250000 1.0000000
D 1
1 0.0431000 1.0000000
D 1
1 0.0149 1.0000
F 1
1 1.2150000 1.0000000
F 1
1 0.5250000 1.0000000
F 1
1 0.2270000 1.0000000
F 1
1 0.0843000 1.0000000
F 1
1 0.0313 1.0000
G 1
1 1.1240000 1.0000000
G 1
1 0.4610000 1.0000000
G 1
1 0.2020000 1.0000000
G 1
1 0.0885 1.0000
H 1
1 0.8340000 1.0000000
H 1
1 0.3840000 1.0000000
H 1
1 0.1770 1.0000
CARBON
S 14
1 96770.0000000 0.0000250
2 14500.0000000 0.0001900
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
11 1.6560000 0.0776650
12 0.6333000 0.0023330
13 0.2545000 0.0005050
14 0.1019000 0.0000300
S 14
1 96770.0000000 -0.0000050
2 14500.0000000 -0.0000410
3 3300.0000000 -0.0002130
4 935.8000000 -0.0008970
5 306.2000000 -0.0031870
6 111.3000000 -0.0099610
7 43.9000000 -0.0263750
8 18.4000000 -0.0600010
9 8.0540000 -0.1068250
10 3.6370000 -0.1441660
11 1.6560000 -0.0246442
12 0.6333000 0.3490090
13 0.2545000 0.5587370
14 0.1019000 0.2281020
S 1
1 1.6560000 1.0000000
S 1
1 0.6333000 1.0000000
S 1
1 0.2545000 1.0000000
S 1
1 0.1019000 1.0000000
S 1
1 0.0394000 1.0000000
S 1
1 0.0152 1.0000
P 8
1 101.8000000 0.0008910
2 24.0400000 0.0069760
3 7.5710000 0.0316690
4 2.7320000 0.1040060
5 1.0850000 0.2416330
6 0.4496000 0.3719460
7 0.1876000 0.3542000
8 0.0760600 0.1315680
P 1
1 1.0850000 1.0000000
P 1
1 0.4496000 1.0000000
P 1
1 0.1876000 1.0000000
P 1
1 0.0760600 1.0000000
P 1
1 0.0272000 1.0000000
P 1
1 0.0097 1.0000
D 1
1 3.1340000 1.0000000
D 1
1 1.2330000 1.0000000
D 1
1 0.4850000 1.0000000
D 1
1 0.1910000 1.0000000
D 1
1 0.0701000 1.0000000
D 1
1 0.0257 1.0000
F 1
1 2.0060000 1.0000000
F 1
1 0.8380000 1.0000000
F 1
1 0.3500000 1.0000000
F 1
1 0.1380000 1.0000000
F 1
1 0.0544 1.0000
G 1
1 1.7530000 1.0000000
G 1
1 0.6780000 1.0000000
G 1
1 0.3190000 1.0000000
G 1
1 0.1500 1.0000
H 1
1 1.2590000 1.0000000
H 1
1 0.5860000 1.0000000
H 1
1 0.2730 1.0000
NITROGEN
S 14
1 129200.0000000 0.0000250
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
11 2.1950000 0.0701710
12 0.8715000 0.0018310
13 0.3504000 0.0008350
14 0.1397000 -0.0000060
S 14
1 129200.0000000 -0.0000060
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
11 2.1950000 -0.0072510
12 0.8715000 0.3661830
13 0.3504000 0.5479080
14 0.1397000 0.2166450
S 1
1 2.1950000 1.0000000
S 1
1 0.8715000 1.0000000
S 1
1 0.3504000 1.0000000
S 1
1 0.1397000 1.0000000
S 1
1 0.0518000 1.0000000
S 1
1 0.0192 1.0000
P 8
1 147.0000000 0.0008920
2 34.7600000 0.0070820
3 11.0000000 0.0328160
4 3.9950000 0.1082090
5 1.5870000 0.2480940
6 0.6533000 0.3745130
7 0.2686000 0.3484140
8 0.1067000 0.1283400
P 1
1 1.5870000 1.0000000
P 1
1 0.6533000 1.0000000
P 1
1 0.2686000 1.0000000
P 1
1 0.1067000 1.0000000
P 1
1 0.0369000 1.0000000
P 1
1 0.0128 1.0000
D 1
1 4.6470000 1.0000000
D 1
1 1.8130000 1.0000000
D 1
1 0.7070000 1.0000000
D 1
1 0.2760000 1.0000000
D 1
1 0.0971000 1.0000000
D 1
1 0.0342 1.0000
F 1
1 2.9420000 1.0000000
F 1
1 1.2040000 1.0000000
F 1
1 0.4930000 1.0000000
F 1
1 0.1920000 1.0000000
F 1
1 0.0748 1.0000
G 1
1 2.5110000 1.0000000
G 1
1 0.9420000 1.0000000
G 1
1 0.4360000 1.0000000
G 1
1 0.2020 1.0000
H 1
1 1.7680000 1.0000000
H 1
1 0.7880000 1.0000000
H 1
1 0.3510 1.0000
OXYGEN
S 14
1 164200.0000000 0.0000260
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
11 2.7760000 0.0635520
12 1.1380000 0.0010630
13 0.4600000 0.0011440
14 0.1829000 -0.0000400
S 14
1 164200.0000000 -0.0000060
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
11 2.7760000 0.0099050
12 1.1380000 0.3842860
13 0.4600000 0.5368050
14 0.1829000 0.2026870
S 1
1 2.7760000 1.0000000
S 1
1 1.1380000 1.0000000
S 1
1 0.4600000 1.0000000
S 1
1 0.1829000 1.0000000
S 1
1 0.0655000 1.0000000
S 1
1 0.0235 1.0000
P 8
1 195.5000000 0.0009180
2 46.1600000 0.0073880
3 14.5800000 0.0349580
4 5.2960000 0.1154310
5 2.0940000 0.2568030
6 0.8471000 0.3739380
7 0.3368000 0.3434470
8 0.1285000 0.1297060
P 1
1 2.0940000 1.0000000
P 1
1 0.8471000 1.0000000
P 1
1 0.3368000 1.0000000
P 1
1 0.1285000 1.0000000
P 1
1 0.0446000 1.0000000
P 1
1 0.0155 1.0000
D 1
1 5.8790000 1.0000000
D 1
1 2.3070000 1.0000000
D 1
1 0.9050000 1.0000000
D 1
1 0.3550000 1.0000000
D 1
1 0.1310000 1.0000000
D 1
1 0.0483 1.0000
F 1
1 4.0160000 1.0000000
F 1
1 1.5540000 1.0000000
F 1
1 0.6010000 1.0000000
F 1
1 0.2370000 1.0000000
F 1
1 0.0935 1.0000
G 1
1 3.3500000 1.0000000
G 1
1 1.1890000 1.0000000
G 1
1 0.5170000 1.0000000
G 1
1 0.2250 1.0000
H 1
1 2.3190000 1.0000000
H 1
1 1.0240000 1.0000000
H 1
1 0.4520 1.0000
FLUORINE
S 14
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
11 3.5380000 0.0635450
12 1.4580000 0.0011110
13 0.5887000 0.0012580
14 0.2324000 -0.0000350
S 14
1 211400.0000000 -0.0000060
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
11 3.5380000 0.0164600
12 1.4580000 0.3925500
13 0.5887000 0.5321640
14 0.2324000 0.1965240
S 1
1 3.5380000 1.0000000
S 1
1 1.4580000 1.0000000
S 1
1 0.5887000 1.0000000
S 1
1 0.2324000 1.0000000
S 1
1 0.0806000 1.0000000
S 1
1 0.0280 1.0000
P 8
1 241.9000000 0.0010020
2 57.1700000 0.0080540
3 18.1300000 0.0380480
4 6.6240000 0.1237790
5 2.6220000 0.2660600
6 1.0570000 0.3717960
7 0.4176000 0.3328900
8 0.1574000 0.1284910
P 1
1 2.6220000 1.0000000
P 1
1 1.0570000 1.0000000
P 1
1 0.4176000 1.0000000
P 1
1 0.1574000 1.0000000
P 1
1 0.0550000 1.0000000
P 1
1 0.0192 1.0000
D 1
1 7.7600000 1.0000000
D 1
1 3.0320000 1.0000000
D 1
1 1.1850000 1.0000000
D 1
1 0.4630000 1.0000000
D 1
1 0.1720000 1.0000000
D 1
1 0.0639 1.0000
F 1
1 5.3980000 1.0000000
F 1
1 2.0780000 1.0000000
F 1
1 0.8000000 1.0000000
F 1
1 0.3310000 1.0000000
F 1
1 0.1370 1.0000
G 1
1 4.3380000 1.0000000
G 1
1 1.5130000 1.0000000
G 1
1 0.6630000 1.0000000
G 1
1 0.2910 1.0000
H 1
1 2.9950000 1.0000000
H 1
1 1.3260000 1.0000000
H 1
1 0.5870 1.0000
NEON
S 14
1 262700.0000000 0.0000260
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
8 50.0000000 0.2524830
9 21.9800000 0.3663140
10 9.8910000 0.2796170
11 4.3270000 0.0616510
12 1.8040000 0.0009340
13 0.7288000 0.0013670
14 0.2867000 -0.0000380
S 14
1 262700.0000000 -0.0000060
2 39350.0000000 -0.0000470
3 8955.0000000 -0.0002470
4 2538.0000000 -0.0010380
5 829.9000000 -0.0037110
6 301.5000000 -0.0115930
7 119.0000000 -0.0310860
8 50.0000000 -0.0709720
9 21.9800000 -0.1272660
10 9.8910000 -0.1512310
11 4.3270000 0.0246660
12 1.8040000 0.3996120
13 0.7288000 0.5266160
14 0.2867000 0.1908540
S 1
1 4.3270000 1.0000000
S 1
1 1.8040000 1.0000000
S 1
1 0.7288000 1.0000000
S 1
1 0.2867000 1.0000000
S 1
1 0.0957000 1.0000000
S 1
1 0.0319 1.0000
P 8
1 299.1000000 0.0010380
2 70.7300000 0.0083750
3 22.4800000 0.0396930
4 8.2460000 0.1280560
5 3.2690000 0.2703250
6 1.3150000 0.3709630
7 0.5158000 0.3284990
8 0.1918000 0.1275880
P 1
1 3.2690000 1.0000000
P 1
1 1.3150000 1.0000000
P 1
1 0.5158000 1.0000000
P 1
1 0.1918000 1.0000000
P 1
1 0.0654000 1.0000000
P 1
1 0.0223 1.0000
D 1
1 9.8370000 1.0000000
D 1
1 3.8440000 1.0000000
D 1
1 1.5020000 1.0000000
D 1
1 0.5870000 1.0000000
D 1
1 0.2130000 1.0000000
D 1
1 0.0773 1.0000
F 1
1 7.0900000 1.0000000
F 1
1 2.7380000 1.0000000
F 1
1 1.0570000 1.0000000
F 1
1 0.4250000 1.0000000
F 1
1 0.1710 1.0000
G 1
1 5.4600000 1.0000000
G 1
1 1.8800000 1.0000000
G 1
1 0.8090000 1.0000000
G 1
1 0.3480 1.0000
H 1
1 3.7760000 1.0000000
H 1
1 1.6280000 1.0000000
H 1
1 0.7020 1.0000
$END