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QuantumPackage/data/basis/cc-pvqz_ames

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2019-01-25 11:39:31 +01:00
TITANIUM
S 17
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2 794951.6500000 0.0000340
3 180907.5600000 0.0001800
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13 19.1905550 0.0400180
14 9.4257160 -0.0021380
15 4.6052430 0.0017220
16 2.0378340 -0.0008020
17 0.9800320 0.0003560
S 17
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8 976.1464600 -0.0212220
9 425.4356300 -0.0514220
10 193.0467700 -0.1067020
11 90.4393690 -0.1746860
12 43.0207130 -0.1560410
13 19.1905550 0.1293230
14 9.4257160 0.5384640
15 4.6052430 0.4357080
16 2.0378340 0.0681170
17 0.9800320 -0.0024360
S 16
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3 51241.9330000 0.0000810
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6 2353.8571000 0.0028120
7 976.1464600 0.0076020
8 425.4356300 0.0185920
9 193.0467700 0.0390850
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12 19.1905550 -0.0562490
13 9.4257160 -0.3180890
14 4.6052430 -0.4058270
15 2.0378340 0.1704320
16 0.9800320 0.6975960
S 1
1 0.4456250 1.0000000
S 1
1 0.1064170 1.0000000
S 1
1 0.0525710 1.0000000
S 1
1 0.0243570 1.0000000
P 10
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4 234.9274100 0.0186640
5 99.2137530 0.0620720
6 44.9161400 0.1590770
7 21.2497170 0.2969700
8 10.3304580 0.3688010
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P 10
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5 99.2137530 -0.0214770
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P 1
1 1.1512050 1.0000000
P 1
1 0.5295560 1.0000000
P 1
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P 1
1 0.0880000 1.0000000
P 1
1 0.0350000 1.0000000
P 1
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D 4
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D 1
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D 1
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D 1
1 0.2938110 1.0000000
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
1 0.1914290 1.0000000
G 1
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G 1
1 0.3911850 1.0000000
H 1
1 0.7500000 1.0000000
IRON
S 18
1 4316265.3000000 0.0000090
2 646342.4200000 0.0000670
3 147089.7300000 0.0003540
4 41661.5220000 0.0014940
5 13590.7650000 0.0054110
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9 344.8064800 0.2492910
10 155.8998900 0.3585690
11 72.2309080 0.2774790
12 32.7250650 0.0672010
13 15.6676220 -0.0011550
14 7.5034830 0.0019310
15 3.3122230 -0.0008930
16 1.5584710 0.0003850
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18 0.1467570 0.0000560
S 18
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18 0.1467570 -0.0004940
S 18
1 4316265.3000000 0.0000010
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3 147089.7300000 0.0000400
4 41661.5220000 0.0001680
5 13590.7650000 0.0006110
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7 1912.7458000 0.0058060
8 792.6043400 0.0153280
9 344.8064800 0.0352100
10 155.8998900 0.0662250
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12 32.7250650 -0.0187860
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15 3.3122230 0.1270580
16 1.5584710 0.7292350
17 0.6839140 0.3992630
18 0.1467570 0.0164900
S 17
1 646342.4200000 0.0000020
2 147089.7300000 0.0000090
3 41661.5220000 0.0000360
4 13590.7650000 0.0001310
5 4905.7500000 0.0004250
6 1912.7458000 0.0012420
7 792.6043400 0.0032840
8 344.8064800 0.0075530
9 155.8998900 0.0142720
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11 32.7250650 -0.0040380
12 15.6676220 -0.0696300
13 7.5034830 -0.1100960
14 3.3122230 0.0384720
15 1.5584710 0.2262400
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17 0.1467570 -0.3198270
S 1
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S 1
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P 9
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P 9
1 7721.4886000 -0.0000640
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P 1
1 2.1135000 1.0000000
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 5
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2 64.9997550 0.0080600
3 24.7731370 0.0365040
4 10.4361400 0.1110340
5 4.6796530 0.2325450
D 1
1 2.1256230 1.0000000
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
1 1.5190000 1.0000000
F 1
1 0.4490100 1.0000000
G 1
1 3.7058090 1.0000000
G 1
1 1.0114110 1.0000000
H 1
1 2.4800000 1.0000000