quack/mol/hcp.xyz

5 lines
217 B
Plaintext

3
\ce{HCP},^1\Sigma^+,CC3,aug-cc-pVTZ
H 0.00000000 0.00000000 -2.13306279
C 0.00000000 0.00000000 -1.06730620
P 0.00000000 0.00000000 0.48367655