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Code Issues Releases Wiki Activity

Missing empty lines at end of basis sets

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This commit is contained in:
Anthony Scemama 2016-09-20 09:49:20 +02:00
parent bd9d322068
commit c99b0cb299
27 changed files with 54 additions and 0 deletions
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2
data/basis/aug-cc-pcv5z
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@ -705,3 +705,5 @@ H 1
1 21.1040000 1.0000000
H 1
1 0.7420000 1.0000000

2
data/basis/aug-cc-pcvdz
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@ -893,3 +893,5 @@ D 1
1 11.4590000 1.0000000
D 1
1 0.2400000 1.0000000

2
data/basis/aug-cc-pcvqz
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@ -1594,3 +1594,5 @@ G 1
1 17.2430000 1.0000000
G 1
1 0.4590000 1.0000000

2
data/basis/aug-cc-pcvtz
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@ -1224,3 +1224,5 @@ F 1
1 13.6740000 1.0000000
F 1
1 0.4060000 1.0000000

2
data/basis/aug-cc-pv5z
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@ -7065,3 +7065,5 @@ H 1
1 0.9303000 1.0000000
H 1
1 0.5800000 1.0000000

2
data/basis/aug-cc-pv6z
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@ -1515,3 +1515,5 @@ I 1
1 1.5066000 1.0000000
I 1
1 0.9926000 1.0000000

2
data/basis/aug-cc-pvdz
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@ -3485,3 +3485,5 @@ D 1
1 0.5030000 1.0000000
D 1
1 0.2155000 1.0000000

2
data/basis/aug-cc-pvqz
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@ -5685,3 +5685,5 @@ G 1
1 0.7395000 1.0000000
G 1
1 0.3590000 1.0000000

2
data/basis/aug-cc-pvtz
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@ -4421,3 +4421,5 @@ F 1
1 0.6622000 1.0000000
F 1
1 0.3280000 1.0000000

2
data/basis/cc-pcv5z
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@ -1614,3 +1614,5 @@ G 1
1 0.3023000 1.0000000
H 1
1 0.2534000 1.0000000

2
data/basis/cc-pcv6z
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@ -1515,3 +1515,5 @@ I 1
1 1.5066000 1.0000000
I 1
1 24.5369000 1.0000000

2
data/basis/cc-pcvdz
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@ -905,3 +905,5 @@ D 1
1 0.0537000 1.0000000
D 1
1 1.3743000 1.0000000

2
data/basis/cc-pcvqz
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@ -1611,3 +1611,5 @@ G 1
1 0.1466000 1.0000000
G 1
1 1.5908000 1.0000000

2
data/basis/cc-pcvtz
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@ -1246,3 +1246,5 @@ F 1
1 0.1509000 1.0000000
F 1
1 1.3909000 1.0000000

2
data/basis/cc-pv5z
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@ -7212,3 +7212,5 @@ G 1
1 1.1040000 1.0000000
H 1
1 0.9303000 1.0000000

2
data/basis/cc-pv6z
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@ -1323,3 +1323,5 @@ H 1
1 0.8871000 1.0000000
I 1
1 1.5066000 1.0000000

2
data/basis/cc-pvdz
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@ -3367,3 +3367,5 @@ D 5
5 1.5075240 0.2667560
D 1
1 0.5030000 1.0000000

2
data/basis/cc-pvqz
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@ -5482,3 +5482,5 @@ F 1
1 0.9557000 1.0000000
G 1
1 0.7395000 1.0000000

2
data/basis/cc-pvtz
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@ -4269,3 +4269,5 @@ D 1
1 0.3006000 1.0000000
F 1
1 0.6622000 1.0000000

2
data/basis/chipman-dzp
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@ -166,3 +166,5 @@ D 1
1 0.6650000 1.0000000
D 1
1 2.6600000 1.0000000

2
data/basis/v5z-bfd
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@ -1017,3 +1017,5 @@ F 1
G 1
1 0.623669 1.000000

2
data/basis/vdz-ano-bfd
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@ -586,3 +586,5 @@ S 1
P 1
1 1.275000 1.000000

2
data/basis/vdz-bfd
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@ -997,3 +997,5 @@ P 8
7 9.063386 -0.224631
8 16.737180 0.098422

2
data/basis/vqz-ano-bfd
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@ -2409,3 +2409,5 @@ G 1
H 1
1 3.164456 1.000000

2
data/basis/vqz-bfd
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@ -809,3 +809,5 @@ D 1
F 1
1 1.021427 1.000000

2
data/basis/vtz-ano-bfd
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@ -1850,3 +1850,5 @@ F 1
G 1
1 2.775762 1.000000

2
data/basis/vtz-bfd
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@ -1279,3 +1279,5 @@ P 1
D 1
1 1.913792 1.000000