File: gabrr.mop

package info (click to toggle)
mopac 22.0.6%2Bdfsg-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 102,028 kB
  • sloc: f90: 161,334; python: 192; sh: 173; makefile: 5
file content (9 lines) | stat: -rw-r--r-- 241 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
 
*
*  -101.388
*
 GEO-OK FIELD=(0.01,0.02,0.03) PM7
Gallium bromide
 <Ga-Cl> GR=HH1979
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.35200000 +1    0.0000000 +0    0.0000000 +0     1     0     0