srDFT_G2/G09/Large_core/Molecules/vdz/H2O2.inp
2019-03-28 15:06:14 +01:00

15 lines
164 B
Plaintext

#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
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