srDFT_G2/G09/Molecules/vdz/small_core/CO2.xyz
2019-03-29 16:37:51 +01:00

8 lines
60 B
Plaintext

0,1
C
O,1,R
X,1,1.,2,90.
O,1,R,3,90.,2,180.,0
R=1.16287946