File: feoh.mop

package info (click to toggle)
mopac 23.1.2-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 115,604 kB
  • sloc: f90: 165,274; python: 202; sh: 181; ansic: 85; makefile: 8
file content (10 lines) | stat: -rw-r--r-- 274 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
 
*
*    41.642
*
 PM7
FeOH
 HR=LBLHLM88 H=32.0
 Fe     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.80710380 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.90218600 +1  179.9044062 +1  180.0000000 +0     2     1     0