File: beor.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-- 219 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
 
*
*    21.100
*
 SHIFT=5 PM7
Beryllium oxide
 GR=JANAF86 <Be-O>
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Be     1.33100000 +1    0.0000000 +0    0.0000000 +0     1     0     0