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Ab Initio Energies
Roff MATLAB Mathematica
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Ar
B+
B
BH3
Be+
Be
Be2
C+
C
C2
C4H10
C6H6
CH3NO
CN-
CN
F+
F
H
H2
H2O
Li+
Li
Li2
LiH
MgO+
MgO
N+
N
N2
Na
Ne+
Ne
Ni
O+
O
S
SO2+
SO2
Si
V
r=1.5
CCDatabase.tsv
CC_Database.txt
CCconvergence.txt
ECPDATA
FCDatabase.tsv
GENBAS
_config.yml
high_angular_momentum_benchmarks.txt
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