Difference between revisions of "Gaussian galaxy-input"
Jump to navigation
Jump to search
(Created page with "%nproc=1 %mem=900mb !walltime=11:00:00 #P HF/6-31G(d) scf=tight test1 HF/6-31G(d) sp formaldehyde 0 1 C1 O2 1 r2 H3 1 r3 2 a3 H4 1 r4 2 a4 3 d4 r2=1.20 r3=1.0 ...") |
|||
| Line 1: | Line 1: | ||
| + | <pre> | ||
%nproc=1 | %nproc=1 | ||
%mem=900mb | %mem=900mb | ||
| Line 19: | Line 20: | ||
a4=120. | a4=120. | ||
d4=180. | d4=180. | ||
| + | |||
| + | </pre> | ||
Revision as of 17:22, 19 September 2012
%nproc=1 %mem=900mb !walltime=11:00:00 #P HF/6-31G(d) scf=tight test1 HF/6-31G(d) sp formaldehyde 0 1 C1 O2 1 r2 H3 1 r3 2 a3 H4 1 r4 2 a4 3 d4 r2=1.20 r3=1.0 r4=1.0 a3=120. a4=120. d4=180.