srDFT_G2/Ref/Molecules/g09/H2O2.xyz
2019-03-25 22:30:19 +01:00

11 lines
121 B
Plaintext

0,1
O
O,1,AA
H,1,AH4,2,H4AA
H,2,AH4,1,H4AA,3,H4AAH8,0
AA=1.44582784
AH4=0.9672488
H4AA=100.44937014
H4AAH8=112.33679746