File: h2sr.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-- 318 bytes parent folder | download | duplicates (3)
1
2
3
4
5
6
7
8
9
10
11
12
*
*  -176.528
*
 SYMMETRY PM7
Hydrogen sulfide
 GR=JANAF86 <H-S> <H-S-H>
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.32800000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.32800000 +0   92.2000000 +1    0.0000000 +0     2     1     0
 
   2  1    3