Add row 4 species Gaussian DB (WIP).

theochem · May 7, 2024 · 7dc8f87 · 7dc8f87
1 parent 416e279
commit 7dc8f87
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diff --git a/gaussian/db/As_-01_003_000.msg b/gaussian/db/As_-01_003_000.msg
diff --git a/gaussian/db/As_-02_002_000.msg b/gaussian/db/As_-02_002_000.msg
diff --git a/gaussian/db/As_000_004_000.msg b/gaussian/db/As_000_004_000.msg
diff --git a/gaussian/db/As_001_003_000.msg b/gaussian/db/As_001_003_000.msg
diff --git a/gaussian/db/As_002_002_000.msg b/gaussian/db/As_002_002_000.msg
diff --git a/gaussian/db/As_003_001_000.msg b/gaussian/db/As_003_001_000.msg
diff --git a/gaussian/db/As_004_002_000.msg b/gaussian/db/As_004_002_000.msg
diff --git a/gaussian/db/As_014_002_000.msg b/gaussian/db/As_014_002_000.msg
diff --git a/gaussian/db/As_015_001_000.msg b/gaussian/db/As_015_001_000.msg
diff --git a/gaussian/db/As_016_002_000.msg b/gaussian/db/As_016_002_000.msg
diff --git a/gaussian/db/As_017_003_000.msg b/gaussian/db/As_017_003_000.msg
diff --git a/gaussian/db/As_018_004_000.msg b/gaussian/db/As_018_004_000.msg
diff --git a/gaussian/db/As_019_003_000.msg b/gaussian/db/As_019_003_000.msg
diff --git a/gaussian/db/As_020_002_000.msg b/gaussian/db/As_020_002_000.msg
diff --git a/gaussian/db/As_021_001_000.msg b/gaussian/db/As_021_001_000.msg
diff --git a/gaussian/db/As_022_002_000.msg b/gaussian/db/As_022_002_000.msg
diff --git a/gaussian/db/As_023_001_000.msg b/gaussian/db/As_023_001_000.msg
diff --git a/gaussian/db/As_024_002_000.msg b/gaussian/db/As_024_002_000.msg
diff --git a/gaussian/db/As_025_003_000.msg b/gaussian/db/As_025_003_000.msg
diff --git a/gaussian/db/As_026_004_000.msg b/gaussian/db/As_026_004_000.msg
diff --git a/gaussian/db/As_027_003_000.msg b/gaussian/db/As_027_003_000.msg
diff --git a/gaussian/db/As_028_002_000.msg b/gaussian/db/As_028_002_000.msg
diff --git a/gaussian/db/As_029_001_000.msg b/gaussian/db/As_029_001_000.msg
diff --git a/gaussian/db/As_030_002_000.msg b/gaussian/db/As_030_002_000.msg
diff --git a/gaussian/db/As_031_001_000.msg b/gaussian/db/As_031_001_000.msg
diff --git a/gaussian/db/As_032_002_000.msg b/gaussian/db/As_032_002_000.msg
diff --git a/gaussian/db/Br_-01_001_000.msg b/gaussian/db/Br_-01_001_000.msg
diff --git a/gaussian/db/Br_-02_002_000.msg b/gaussian/db/Br_-02_002_000.msg
diff --git a/gaussian/db/Br_000_002_000.msg b/gaussian/db/Br_000_002_000.msg
diff --git a/gaussian/db/Br_001_003_000.msg b/gaussian/db/Br_001_003_000.msg
diff --git a/gaussian/db/Br_002_004_000.msg b/gaussian/db/Br_002_004_000.msg
diff --git a/gaussian/db/Br_003_003_000.msg b/gaussian/db/Br_003_003_000.msg
diff --git a/gaussian/db/Br_004_002_000.msg b/gaussian/db/Br_004_002_000.msg
diff --git a/gaussian/db/Br_005_001_000.msg b/gaussian/db/Br_005_001_000.msg
diff --git a/gaussian/db/Br_006_002_000.msg b/gaussian/db/Br_006_002_000.msg
diff --git a/gaussian/db/Br_016_002_000.msg b/gaussian/db/Br_016_002_000.msg
diff --git a/gaussian/db/Br_017_001_000.msg b/gaussian/db/Br_017_001_000.msg
diff --git a/gaussian/db/Br_018_002_000.msg b/gaussian/db/Br_018_002_000.msg
diff --git a/gaussian/db/Br_019_003_000.msg b/gaussian/db/Br_019_003_000.msg
diff --git a/gaussian/db/Br_020_004_000.msg b/gaussian/db/Br_020_004_000.msg
diff --git a/gaussian/db/Br_021_003_000.msg b/gaussian/db/Br_021_003_000.msg
diff --git a/gaussian/db/Br_022_002_000.msg b/gaussian/db/Br_022_002_000.msg
diff --git a/gaussian/db/Br_023_001_000.msg b/gaussian/db/Br_023_001_000.msg
diff --git a/gaussian/db/Br_024_002_000.msg b/gaussian/db/Br_024_002_000.msg
diff --git a/gaussian/db/Br_025_001_000.msg b/gaussian/db/Br_025_001_000.msg
diff --git a/gaussian/db/Br_026_002_000.msg b/gaussian/db/Br_026_002_000.msg
diff --git a/gaussian/db/Br_027_003_000.msg b/gaussian/db/Br_027_003_000.msg
diff --git a/gaussian/db/Br_028_004_000.msg b/gaussian/db/Br_028_004_000.msg
diff --git a/gaussian/db/Br_029_003_000.msg b/gaussian/db/Br_029_003_000.msg
diff --git a/gaussian/db/Br_030_002_000.msg b/gaussian/db/Br_030_002_000.msg
diff --git a/gaussian/db/Br_031_001_000.msg b/gaussian/db/Br_031_001_000.msg
diff --git a/gaussian/db/Br_032_002_000.msg b/gaussian/db/Br_032_002_000.msg
diff --git a/gaussian/db/Br_033_001_000.msg b/gaussian/db/Br_033_001_000.msg
diff --git a/gaussian/db/Br_034_002_000.msg b/gaussian/db/Br_034_002_000.msg
diff --git a/gaussian/db/Ca_-01_002_000.msg b/gaussian/db/Ca_-01_002_000.msg
diff --git a/gaussian/db/Ca_-02_003_000.msg b/gaussian/db/Ca_-02_003_000.msg
diff --git a/gaussian/db/Ca_000_001_000.msg b/gaussian/db/Ca_000_001_000.msg
diff --git a/gaussian/db/Ca_001_002_000.msg b/gaussian/db/Ca_001_002_000.msg
diff --git a/gaussian/db/Ca_002_001_000.msg b/gaussian/db/Ca_002_001_000.msg
diff --git a/gaussian/db/Ca_003_002_000.msg b/gaussian/db/Ca_003_002_000.msg
diff --git a/gaussian/db/Ca_004_003_000.msg b/gaussian/db/Ca_004_003_000.msg
diff --git a/gaussian/db/Ca_005_004_000.msg b/gaussian/db/Ca_005_004_000.msg
diff --git a/gaussian/db/Ca_006_003_000.msg b/gaussian/db/Ca_006_003_000.msg
diff --git a/gaussian/db/Ca_007_002_000.msg b/gaussian/db/Ca_007_002_000.msg
diff --git a/gaussian/db/Ca_008_001_000.msg b/gaussian/db/Ca_008_001_000.msg
diff --git a/gaussian/db/Ca_009_002_000.msg b/gaussian/db/Ca_009_002_000.msg
diff --git a/gaussian/db/Ca_010_001_000.msg b/gaussian/db/Ca_010_001_000.msg
diff --git a/gaussian/db/Ca_011_002_000.msg b/gaussian/db/Ca_011_002_000.msg
diff --git a/gaussian/db/Ca_012_003_000.msg b/gaussian/db/Ca_012_003_000.msg
diff --git a/gaussian/db/Ca_013_004_000.msg b/gaussian/db/Ca_013_004_000.msg
diff --git a/gaussian/db/Ca_014_003_000.msg b/gaussian/db/Ca_014_003_000.msg
diff --git a/gaussian/db/Ca_015_002_000.msg b/gaussian/db/Ca_015_002_000.msg
diff --git a/gaussian/db/Ca_016_001_000.msg b/gaussian/db/Ca_016_001_000.msg
diff --git a/gaussian/db/Ca_017_002_000.msg b/gaussian/db/Ca_017_002_000.msg
diff --git a/gaussian/db/Ca_018_001_000.msg b/gaussian/db/Ca_018_001_000.msg
diff --git a/gaussian/db/Ca_019_002_000.msg b/gaussian/db/Ca_019_002_000.msg
diff --git a/gaussian/db/Ge_-01_004_000.msg b/gaussian/db/Ge_-01_004_000.msg
diff --git a/gaussian/db/Ge_-02_003_000.msg b/gaussian/db/Ge_-02_003_000.msg
diff --git a/gaussian/db/Ge_000_003_000.msg b/gaussian/db/Ge_000_003_000.msg
diff --git a/gaussian/db/Ge_001_002_000.msg b/gaussian/db/Ge_001_002_000.msg
diff --git a/gaussian/db/Ge_002_001_000.msg b/gaussian/db/Ge_002_001_000.msg
diff --git a/gaussian/db/Ge_003_002_000.msg b/gaussian/db/Ge_003_002_000.msg
diff --git a/gaussian/db/Ge_013_002_000.msg b/gaussian/db/Ge_013_002_000.msg
diff --git a/gaussian/db/Ge_014_001_000.msg b/gaussian/db/Ge_014_001_000.msg
diff --git a/gaussian/db/Ge_015_002_000.msg b/gaussian/db/Ge_015_002_000.msg
diff --git a/gaussian/db/Ge_016_003_000.msg b/gaussian/db/Ge_016_003_000.msg
diff --git a/gaussian/db/Ge_017_004_000.msg b/gaussian/db/Ge_017_004_000.msg
diff --git a/gaussian/db/Ge_018_003_000.msg b/gaussian/db/Ge_018_003_000.msg
diff --git a/gaussian/db/Ge_019_002_000.msg b/gaussian/db/Ge_019_002_000.msg
diff --git a/gaussian/db/Ge_020_001_000.msg b/gaussian/db/Ge_020_001_000.msg
diff --git a/gaussian/db/Ge_021_002_000.msg b/gaussian/db/Ge_021_002_000.msg
diff --git a/gaussian/db/Ge_022_001_000.msg b/gaussian/db/Ge_022_001_000.msg
diff --git a/gaussian/db/Ge_023_002_000.msg b/gaussian/db/Ge_023_002_000.msg
diff --git a/gaussian/db/Ge_024_003_000.msg b/gaussian/db/Ge_024_003_000.msg
diff --git a/gaussian/db/Ge_025_004_000.msg b/gaussian/db/Ge_025_004_000.msg
diff --git a/gaussian/db/Ge_026_003_000.msg b/gaussian/db/Ge_026_003_000.msg
diff --git a/gaussian/db/Ge_027_002_000.msg b/gaussian/db/Ge_027_002_000.msg
diff --git a/gaussian/db/Ge_028_001_000.msg b/gaussian/db/Ge_028_001_000.msg
diff --git a/gaussian/db/Ge_029_002_000.msg b/gaussian/db/Ge_029_002_000.msg
diff --git a/gaussian/db/Ge_030_001_000.msg b/gaussian/db/Ge_030_001_000.msg
diff --git a/gaussian/db/Ge_031_002_000.msg b/gaussian/db/Ge_031_002_000.msg
diff --git a/gaussian/db/K_-01_001_000.msg b/gaussian/db/K_-01_001_000.msg
diff --git a/gaussian/db/K_-02_002_000.msg b/gaussian/db/K_-02_002_000.msg
diff --git a/gaussian/db/K_000_002_000.msg b/gaussian/db/K_000_002_000.msg
diff --git a/gaussian/db/K_001_001_000.msg b/gaussian/db/K_001_001_000.msg
diff --git a/gaussian/db/K_002_002_000.msg b/gaussian/db/K_002_002_000.msg
diff --git a/gaussian/db/K_003_003_000.msg b/gaussian/db/K_003_003_000.msg
diff --git a/gaussian/db/K_004_004_000.msg b/gaussian/db/K_004_004_000.msg
diff --git a/gaussian/db/K_005_003_000.msg b/gaussian/db/K_005_003_000.msg
diff --git a/gaussian/db/K_006_002_000.msg b/gaussian/db/K_006_002_000.msg
diff --git a/gaussian/db/K_007_001_000.msg b/gaussian/db/K_007_001_000.msg
diff --git a/gaussian/db/K_008_002_000.msg b/gaussian/db/K_008_002_000.msg
diff --git a/gaussian/db/K_009_001_000.msg b/gaussian/db/K_009_001_000.msg
diff --git a/gaussian/db/K_010_002_000.msg b/gaussian/db/K_010_002_000.msg
diff --git a/gaussian/db/K_011_003_000.msg b/gaussian/db/K_011_003_000.msg
diff --git a/gaussian/db/K_012_004_000.msg b/gaussian/db/K_012_004_000.msg
diff --git a/gaussian/db/K_013_003_000.msg b/gaussian/db/K_013_003_000.msg
diff --git a/gaussian/db/K_014_002_000.msg b/gaussian/db/K_014_002_000.msg
diff --git a/gaussian/db/K_015_001_000.msg b/gaussian/db/K_015_001_000.msg
diff --git a/gaussian/db/K_016_002_000.msg b/gaussian/db/K_016_002_000.msg
diff --git a/gaussian/db/K_017_001_000.msg b/gaussian/db/K_017_001_000.msg
diff --git a/gaussian/db/K_018_002_000.msg b/gaussian/db/K_018_002_000.msg
diff --git a/gaussian/db/Kr_-01_002_000.msg b/gaussian/db/Kr_-01_002_000.msg
diff --git a/gaussian/db/Kr_-02_001_000.msg b/gaussian/db/Kr_-02_001_000.msg
diff --git a/gaussian/db/Kr_000_001_000.msg b/gaussian/db/Kr_000_001_000.msg
diff --git a/gaussian/db/Kr_001_002_000.msg b/gaussian/db/Kr_001_002_000.msg
diff --git a/gaussian/db/Kr_002_003_000.msg b/gaussian/db/Kr_002_003_000.msg
diff --git a/gaussian/db/Kr_003_004_000.msg b/gaussian/db/Kr_003_004_000.msg
diff --git a/gaussian/db/Kr_004_003_000.msg b/gaussian/db/Kr_004_003_000.msg
diff --git a/gaussian/db/Kr_005_002_000.msg b/gaussian/db/Kr_005_002_000.msg
diff --git a/gaussian/db/Kr_006_001_000.msg b/gaussian/db/Kr_006_001_000.msg
diff --git a/gaussian/db/Kr_007_002_000.msg b/gaussian/db/Kr_007_002_000.msg
diff --git a/gaussian/db/Kr_017_002_000.msg b/gaussian/db/Kr_017_002_000.msg
diff --git a/gaussian/db/Kr_018_001_000.msg b/gaussian/db/Kr_018_001_000.msg
diff --git a/gaussian/db/Kr_019_002_000.msg b/gaussian/db/Kr_019_002_000.msg
diff --git a/gaussian/db/Kr_020_003_000.msg b/gaussian/db/Kr_020_003_000.msg
diff --git a/gaussian/db/Kr_021_004_000.msg b/gaussian/db/Kr_021_004_000.msg
diff --git a/gaussian/db/Kr_022_003_000.msg b/gaussian/db/Kr_022_003_000.msg
diff --git a/gaussian/db/Kr_023_002_000.msg b/gaussian/db/Kr_023_002_000.msg
diff --git a/gaussian/db/Kr_024_001_000.msg b/gaussian/db/Kr_024_001_000.msg
diff --git a/gaussian/db/Kr_025_002_000.msg b/gaussian/db/Kr_025_002_000.msg
diff --git a/gaussian/db/Kr_026_001_000.msg b/gaussian/db/Kr_026_001_000.msg
diff --git a/gaussian/db/Kr_027_002_000.msg b/gaussian/db/Kr_027_002_000.msg
diff --git a/gaussian/db/Kr_028_003_000.msg b/gaussian/db/Kr_028_003_000.msg
diff --git a/gaussian/db/Kr_029_004_000.msg b/gaussian/db/Kr_029_004_000.msg
diff --git a/gaussian/db/Kr_030_003_000.msg b/gaussian/db/Kr_030_003_000.msg
diff --git a/gaussian/db/Kr_031_002_000.msg b/gaussian/db/Kr_031_002_000.msg
diff --git a/gaussian/db/Kr_032_001_000.msg b/gaussian/db/Kr_032_001_000.msg
diff --git a/gaussian/db/Kr_033_002_000.msg b/gaussian/db/Kr_033_002_000.msg
diff --git a/gaussian/db/Kr_034_001_000.msg b/gaussian/db/Kr_034_001_000.msg
diff --git a/gaussian/db/Kr_035_002_000.msg b/gaussian/db/Kr_035_002_000.msg
diff --git a/gaussian/db/Sc_-01_003_000.msg b/gaussian/db/Sc_-01_003_000.msg
diff --git a/gaussian/db/Sc_-02_004_000.msg b/gaussian/db/Sc_-02_004_000.msg
diff --git a/gaussian/db/Sc_000_002_000.msg b/gaussian/db/Sc_000_002_000.msg
diff --git a/gaussian/db/Sc_002_002_000.msg b/gaussian/db/Sc_002_002_000.msg
diff --git a/gaussian/db/Sc_003_001_000.msg b/gaussian/db/Sc_003_001_000.msg
diff --git a/gaussian/db/Sc_004_002_000.msg b/gaussian/db/Sc_004_002_000.msg
diff --git a/gaussian/db/Sc_005_003_000.msg b/gaussian/db/Sc_005_003_000.msg
diff --git a/gaussian/db/Sc_006_004_000.msg b/gaussian/db/Sc_006_004_000.msg
diff --git a/gaussian/db/Sc_007_003_000.msg b/gaussian/db/Sc_007_003_000.msg
diff --git a/gaussian/db/Sc_008_002_000.msg b/gaussian/db/Sc_008_002_000.msg
diff --git a/gaussian/db/Sc_009_001_000.msg b/gaussian/db/Sc_009_001_000.msg
diff --git a/gaussian/db/Sc_010_002_000.msg b/gaussian/db/Sc_010_002_000.msg
diff --git a/gaussian/db/Sc_011_001_000.msg b/gaussian/db/Sc_011_001_000.msg
diff --git a/gaussian/db/Sc_012_002_000.msg b/gaussian/db/Sc_012_002_000.msg
diff --git a/gaussian/db/Sc_013_003_000.msg b/gaussian/db/Sc_013_003_000.msg
diff --git a/gaussian/db/Sc_014_004_000.msg b/gaussian/db/Sc_014_004_000.msg
diff --git a/gaussian/db/Sc_015_003_000.msg b/gaussian/db/Sc_015_003_000.msg
diff --git a/gaussian/db/Sc_016_002_000.msg b/gaussian/db/Sc_016_002_000.msg
diff --git a/gaussian/db/Sc_017_001_000.msg b/gaussian/db/Sc_017_001_000.msg
diff --git a/gaussian/db/Sc_018_002_000.msg b/gaussian/db/Sc_018_002_000.msg
diff --git a/gaussian/db/Sc_019_001_000.msg b/gaussian/db/Sc_019_001_000.msg
diff --git a/gaussian/db/Sc_020_002_000.msg b/gaussian/db/Sc_020_002_000.msg
diff --git a/gaussian/db/Se_-01_002_000.msg b/gaussian/db/Se_-01_002_000.msg
diff --git a/gaussian/db/Se_-02_001_000.msg b/gaussian/db/Se_-02_001_000.msg
diff --git a/gaussian/db/Se_000_003_000.msg b/gaussian/db/Se_000_003_000.msg
diff --git a/gaussian/db/Se_001_004_000.msg b/gaussian/db/Se_001_004_000.msg
diff --git a/gaussian/db/Se_002_003_000.msg b/gaussian/db/Se_002_003_000.msg
diff --git a/gaussian/db/Se_003_002_000.msg b/gaussian/db/Se_003_002_000.msg
diff --git a/gaussian/db/Se_004_001_000.msg b/gaussian/db/Se_004_001_000.msg
diff --git a/gaussian/db/Se_005_002_000.msg b/gaussian/db/Se_005_002_000.msg
diff --git a/gaussian/db/Se_015_002_000.msg b/gaussian/db/Se_015_002_000.msg
diff --git a/gaussian/db/Se_016_001_000.msg b/gaussian/db/Se_016_001_000.msg
diff --git a/gaussian/db/Se_017_002_000.msg b/gaussian/db/Se_017_002_000.msg
diff --git a/gaussian/db/Se_018_003_000.msg b/gaussian/db/Se_018_003_000.msg
diff --git a/gaussian/db/Se_019_004_000.msg b/gaussian/db/Se_019_004_000.msg
diff --git a/gaussian/db/Se_020_003_000.msg b/gaussian/db/Se_020_003_000.msg
diff --git a/gaussian/db/Se_021_002_000.msg b/gaussian/db/Se_021_002_000.msg
diff --git a/gaussian/db/Se_022_001_000.msg b/gaussian/db/Se_022_001_000.msg
diff --git a/gaussian/db/Se_023_002_000.msg b/gaussian/db/Se_023_002_000.msg
diff --git a/gaussian/db/Se_024_001_000.msg b/gaussian/db/Se_024_001_000.msg
diff --git a/gaussian/db/Se_025_002_000.msg b/gaussian/db/Se_025_002_000.msg
diff --git a/gaussian/db/Se_026_003_000.msg b/gaussian/db/Se_026_003_000.msg
diff --git a/gaussian/db/Se_027_004_000.msg b/gaussian/db/Se_027_004_000.msg
diff --git a/gaussian/db/Se_028_003_000.msg b/gaussian/db/Se_028_003_000.msg
diff --git a/gaussian/db/Se_029_002_000.msg b/gaussian/db/Se_029_002_000.msg
diff --git a/gaussian/db/Se_030_001_000.msg b/gaussian/db/Se_030_001_000.msg
diff --git a/gaussian/db/Se_031_002_000.msg b/gaussian/db/Se_031_002_000.msg
diff --git a/gaussian/db/Se_032_001_000.msg b/gaussian/db/Se_032_001_000.msg
diff --git a/gaussian/db/Se_033_002_000.msg b/gaussian/db/Se_033_002_000.msg