File: so2r.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 (12 lines) | stat: -rw-r--r-- 316 bytes parent folder | download | duplicates (3)
1
2
3
4
5
6
7
8
9
10
11
12
*
*  -181.506
*
 SYMMETRY PM7
Sulfur dioxide
 GR=JANAF86 <S-O> <O-S-O>
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.43200000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.43200000 +0  119.5300000 +1    0.0000000 +0     2     1     0
 
   2  1    3