srDFT_G2/G09/Large_core/Molecules/vdz/H2O.inp

12 lines
101 B
Plaintext
Raw Normal View History

2019-03-28 15:06:14 +01:00
#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
0,1
O
H,1,OH
H,1,OH,2,HOH
OH=0.96210248
HOH=103.71685008