!----------------------------------------------------------------------
! Basis Set Exchange
! Version 2.1.0+44.g1191679.dirty
! https://www.basissetexchange.org
!----------------------------------------------------------------------
!   Basis set: d-aug-cc-pVQZ
! Description: VQZ3PD  Valence Quadruple Zeta + Polarization + Diffuse
!        Role: orbital
!     Version: 0  (Data from the original Basis Set Exchange)
!----------------------------------------------------------------------


$DATA

HYDROGEN
S   6
1        82.6400000              0.0020060
2        12.4100000              0.0153430
3         2.8240000              0.0755790
4         0.7977000              0.2568750
5         0.2581000              0.4973680
6         0.0898900              0.2961330
S   1
1         0.7977000              1.0000000
S   1
1         0.2581000              1.0000000
S   1
1         0.0898900              1.0000000
S   1
1         0.0236300              1.0000000
S   1
1         0.00621                1.000000
P   1
1         2.2920000              1.0000000
P   1
1         0.8380000              1.0000000
P   1
1         0.2920000              1.0000000
P   1
1         0.0848000              1.0000000
P   1
1         0.0246                 1.000000
D   1
1         2.0620000              1.0000000
D   1
1         0.6620000              1.0000000
D   1
1         0.1900000              1.0000000
D   1
1         0.0545                 1.000000
F   1
1         1.3970000              1.0000000
F   1
1         0.3600000              1.0000000
F   1
1         0.0928                 1.000000

HELIUM
S   7
1       528.5000000              0.0009400
2        79.3100000              0.0072140
3        18.0500000              0.0359750
4         5.0850000              0.1277820
5         1.6090000              0.3084700
6         0.5363000              0.4530520
7         0.1833000              0.2388840
S   1
1         1.6090000              1.0000000
S   1
1         0.5363000              1.0000000
S   1
1         0.1833000              1.0000000
S   1
1         0.0481900              1.0000000
S   1
1         0.0127                 1.000000
P   1
1         5.9940000              1.0000000
P   1
1         1.7450000              1.0000000
P   1
1         0.5600000              1.0000000
P   1
1         0.1626000              1.0000000
P   1
1         0.0472                 1.000000
D   1
1         4.2990000              1.0000000
D   1
1         1.2230000              1.0000000
D   1
1         0.3510000              1.0000000
D   1
1         0.101                  1.000000
F   1
1         2.6800000              1.0000000
F   1
1         0.6906000              1.0000000
F   1
1         0.178                  1.000000

BORON
S   12
1     23870.0000000              0.0000880
2      3575.0000000              0.0006870
3       812.8000000              0.0036000
4       229.7000000              0.0149490
5        74.6900000              0.0514350
6        26.8100000              0.1433020
7        10.3200000              0.3009350
8         4.1780000              0.4035260
9         1.7270000              0.2253400
10        0.4704000              0.0154070
11        0.1896000             -0.0039550
12        0.0739400              0.0011240
S   12
1     23870.0000000             -0.0000180
2      3575.0000000             -0.0001390
3       812.8000000             -0.0007250
4       229.7000000             -0.0030630
5        74.6900000             -0.0105810
6        26.8100000             -0.0313650
7        10.3200000             -0.0710120
8         4.1780000             -0.1321030
9         1.7270000             -0.1230720
10        0.4704000              0.2618190
11        0.1896000              0.5866620
12        0.0739400              0.2904940
S   1
1         0.4704000              1.0000000
S   1
1         0.1896000              1.0000000
S   1
1         0.0739400              1.0000000
S   1
1         0.0272100              1.0000000
S   1
1         0.0100                 1.000000
P   6
1        22.2600000              0.0050950
2         5.0580000              0.0332060
3         1.4870000              0.1323140
4         0.5071000              0.3318180
5         0.1812000              0.4720630
6         0.0646300              0.2579790
P   1
1         0.5071000              1.0000000
P   1
1         0.1812000              1.0000000
P   1
1         0.0646300              1.0000000
P   1
1         0.0187800              1.0000000
P   1
1         0.00546                1.000000
D   1
1         1.1100000              1.0000000
D   1
1         0.4020000              1.0000000
D   1
1         0.1450000              1.0000000
D   1
1         0.0466000              1.0000000
D   1
1         0.0150                 1.000000
F   1
1         0.8820000              1.0000000
F   1
1         0.3110000              1.0000000
F   1
1         0.1130000              1.0000000
F   1
1         0.0411                 1.000000
G   1
1         0.6730000              1.0000000
G   1
1         0.2730000              1.0000000
G   1
1         0.111                  1.000000

CARBON
S   12
1     33980.0000000              0.0000910
2      5089.0000000              0.0007040
3      1157.0000000              0.0036930
4       326.6000000              0.0153600
5       106.1000000              0.0529290
6        38.1100000              0.1470430
7        14.7500000              0.3056310
8         6.0350000              0.3993450
9         2.5300000              0.2170510
10        0.7355000              0.0158940
11        0.2905000             -0.0030840
12        0.1111000              0.0009780
S   12
1     33980.0000000             -0.0000190
2      5089.0000000             -0.0001510
3      1157.0000000             -0.0007850
4       326.6000000             -0.0033240
5       106.1000000             -0.0115120
6        38.1100000             -0.0341600
7        14.7500000             -0.0771730
8         6.0350000             -0.1414930
9         2.5300000             -0.1180190
10        0.7355000              0.2738060
11        0.2905000              0.5865100
12        0.1111000              0.2854300
S   1
1         0.7355000              1.0000000
S   1
1         0.2905000              1.0000000
S   1
1         0.1111000              1.0000000
S   1
1         0.0414500              1.0000000
S   1
1         0.0155                 1.000000
P   6
1        34.5100000              0.0053780
2         7.9150000              0.0361320
3         2.3680000              0.1424930
4         0.8132000              0.3421500
5         0.2890000              0.4638640
6         0.1007000              0.2500280
P   1
1         0.8132000              1.0000000
P   1
1         0.2890000              1.0000000
P   1
1         0.1007000              1.0000000
P   1
1         0.0321800              1.0000000
P   1
1         0.0103                 1.000000
D   1
1         1.8480000              1.0000000
D   1
1         0.6490000              1.0000000
D   1
1         0.2280000              1.0000000
D   1
1         0.0766000              1.0000000
D   1
1         0.0257                 1.000000
F   1
1         1.4190000              1.0000000
F   1
1         0.4850000              1.0000000
F   1
1         0.1870000              1.0000000
F   1
1         0.0721                 1.000000
G   1
1         1.0110000              1.0000000
G   1
1         0.4240000              1.0000000
G   1
1         0.178                  1.000000

NITROGEN
S   12
1     45840.0000000              0.0000920
2      6868.0000000              0.0007170
3      1563.0000000              0.0037490
4       442.4000000              0.0155320
5       144.3000000              0.0531460
6        52.1800000              0.1467870
7        20.3400000              0.3046630
8         8.3810000              0.3976840
9         3.5290000              0.2176410
10        1.0540000              0.0169630
11        0.4118000             -0.0027450
12        0.1552000              0.0009530
S   12
1     45840.0000000             -0.0000200
2      6868.0000000             -0.0001590
3      1563.0000000             -0.0008240
4       442.4000000             -0.0034780
5       144.3000000             -0.0119660
6        52.1800000             -0.0353880
7        20.3400000             -0.0800770
8         8.3810000             -0.1467220
9         3.5290000             -0.1163600
10        1.0540000              0.2799190
11        0.4118000              0.5854810
12        0.1552000              0.2840280
S   1
1         1.0540000              1.0000000
S   1
1         0.4118000              1.0000000
S   1
1         0.1552000              1.0000000
S   1
1         0.0546400              1.0000000
S   1
1         0.0192                 1.000000
P   6
1        49.3300000              0.0055330
2        11.3700000              0.0379620
3         3.4350000              0.1490280
4         1.1820000              0.3489220
5         0.4173000              0.4589720
6         0.1428000              0.2449230
P   1
1         1.1820000              1.0000000
P   1
1         0.4173000              1.0000000
P   1
1         0.1428000              1.0000000
P   1
1         0.0440200              1.0000000
P   1
1         0.0136                 1.000000
D   1
1         2.8370000              1.0000000
D   1
1         0.9680000              1.0000000
D   1
1         0.3350000              1.0000000
D   1
1         0.1110000              1.0000000
D   1
1         0.0368                 1.000000
F   1
1         2.0270000              1.0000000
F   1
1         0.6850000              1.0000000
F   1
1         0.2450000              1.0000000
F   1
1         0.0876                 1.000000
G   1
1         1.4270000              1.0000000
G   1
1         0.5590000              1.0000000
G   1
1         0.219                  1.000000

OXYGEN
S   12
1     61420.0000000              0.0000900
2      9199.0000000              0.0006980
3      2091.0000000              0.0036640
4       590.9000000              0.0152180
5       192.3000000              0.0524230
6        69.3200000              0.1459210
7        26.9700000              0.3052580
8        11.1000000              0.3985080
9         4.6820000              0.2169800
10        1.4280000              0.0175940
11        0.5547000             -0.0025020
12        0.2067000              0.0009540
S   12
1     61420.0000000             -0.0000200
2      9199.0000000             -0.0001590
3      2091.0000000             -0.0008290
4       590.9000000             -0.0035080
5       192.3000000             -0.0121560
6        69.3200000             -0.0362610
7        26.9700000             -0.0829920
8        11.1000000             -0.1520900
9         4.6820000             -0.1153310
10        1.4280000              0.2889790
11        0.5547000              0.5861280
12        0.2067000              0.2776240
S   1
1         1.4280000              1.0000000
S   1
1         0.5547000              1.0000000
S   1
1         0.2067000              1.0000000
S   1
1         0.0695900              1.0000000
S   1
1         0.0234                 1.000000
P   6
1        63.4200000              0.0060440
2        14.6600000              0.0417990
3         4.4590000              0.1611430
4         1.5310000              0.3567310
5         0.5302000              0.4483090
6         0.1750000              0.2449400
P   1
1         1.5310000              1.0000000
P   1
1         0.5302000              1.0000000
P   1
1         0.1750000              1.0000000
P   1
1         0.0534800              1.0000000
P   1
1         0.0163                 1.000000
D   1
1         3.7750000              1.0000000
D   1
1         1.3000000              1.0000000
D   1
1         0.4440000              1.0000000
D   1
1         0.1540000              1.0000000
D   1
1         0.0534                 1.000000
F   1
1         2.6660000              1.0000000
F   1
1         0.8590000              1.0000000
F   1
1         0.3240000              1.0000000
F   1
1         0.122                  1.000000
G   1
1         1.8460000              1.0000000
G   1
1         0.7140000              1.0000000
G   1
1         0.276                  1.000000

FLUORINE
S   12
1     74530.0000000              0.0000950
2     11170.0000000              0.0007380
3      2543.0000000              0.0038580
4       721.0000000              0.0159260
5       235.9000000              0.0542890
6        85.6000000              0.1495130
7        33.5500000              0.3082520
8        13.9300000              0.3948530
9         5.9150000              0.2110310
10        1.8430000              0.0171510
11        0.7124000             -0.0020150
12        0.2637000              0.0008690
S   12
1     74530.0000000             -0.0000220
2     11170.0000000             -0.0001720
3      2543.0000000             -0.0008910
4       721.0000000             -0.0037480
5       235.9000000             -0.0128620
6        85.6000000             -0.0380610
7        33.5500000             -0.0862390
8        13.9300000             -0.1558650
9         5.9150000             -0.1109140
10        1.8430000              0.2987610
11        0.7124000              0.5850130
12        0.2637000              0.2711590
S   1
1         1.8430000              1.0000000
S   1
1         0.7124000              1.0000000
S   1
1         0.2637000              1.0000000
S   1
1         0.0859400              1.0000000
S   1
1         0.0280                 1.000000
P   6
1        80.3900000              0.0063470
2        18.6300000              0.0442040
3         5.6940000              0.1685140
4         1.9530000              0.3615630
5         0.6702000              0.4421780
6         0.2166000              0.2434350
P   1
1         1.9530000              1.0000000
P   1
1         0.6702000              1.0000000
P   1
1         0.2166000              1.0000000
P   1
1         0.0656800              1.0000000
P   1
1         0.0199                 1.000000
D   1
1         5.0140000              1.0000000
D   1
1         1.7250000              1.0000000
D   1
1         0.5860000              1.0000000
D   1
1         0.2070000              1.0000000
D   1
1         0.0731                 1.000000
F   1
1         3.5620000              1.0000000
F   1
1         1.1480000              1.0000000
F   1
1         0.4600000              1.0000000
F   1
1         0.184                  1.000000
G   1
1         2.3760000              1.0000000
G   1
1         0.9240000              1.0000000
G   1
1         0.359                  1.000000

NEON
S   12
1     99920.0000000              0.0000860
2     14960.0000000              0.0006690
3      3399.0000000              0.0035180
4       958.9000000              0.0146670
5       311.2000000              0.0509620
6       111.7000000              0.1437440
7        43.3200000              0.3045620
8        17.8000000              0.4001050
9         7.5030000              0.2186440
10        2.3370000              0.0186640
11        0.9001000             -0.0021670
12        0.3301000              0.0009510
S   12
1     99920.0000000             -0.0000200
2     14960.0000000             -0.0001580
3      3399.0000000             -0.0008240
4       958.9000000             -0.0035000
5       311.2000000             -0.0122330
6       111.7000000             -0.0370170
7        43.3200000             -0.0861130
8        17.8000000             -0.1583810
9         7.5030000             -0.1142880
10        2.3370000              0.2981910
11        0.9001000              0.5857840
12        0.3301000              0.2724670
S   1
1         2.3370000              1.0000000
S   1
1         0.9001000              1.0000000
S   1
1         0.3301000              1.0000000
S   1
1         0.1054000              1.0000000
S   1
1         0.0337                 1.000000
P   6
1        99.6800000              0.0065660
2        23.1500000              0.0459790
3         7.1080000              0.1734190
4         2.4410000              0.3645710
5         0.8339000              0.4381850
6         0.2662000              0.2416800
P   1
1         2.4410000              1.0000000
P   1
1         0.8339000              1.0000000
P   1
1         0.2662000              1.0000000
P   1
1         0.0817800              1.0000000
P   1
1         0.0251                 1.000000
D   1
1         6.4710000              1.0000000
D   1
1         2.2130000              1.0000000
D   1
1         0.7470000              1.0000000
D   1
1         0.2730000              1.0000000
D   1
1         0.0998                 1.000000
F   1
1         4.6570000              1.0000000
F   1
1         1.5240000              1.0000000
F   1
1         0.6890000              1.0000000
F   1
1         0.311                  1.000000
G   1
1         2.9830000              1.0000000
G   1
1         1.2240000              1.0000000
G   1
1         0.502                  1.000000
$END