loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
6583b8441d
srDFT_G2/Ref/Molecules/g09/CH3.xyz

8 lines
65 B
Plaintext
Raw Normal View History

g09 input
2019-03-25 22:30:19 +01:00
0,2
C
H,1,CH
H,1,CH,2,120.
H,1,CH,2,120.,3,180.,0
create_ezfio.sh
2019-03-25 23:18:37 +01:00
g09 input
2019-03-25 22:30:19 +01:00
CH=1.08130823
Reference in New Issue Copy Permalink