File: f2boh.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-- 423 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
 
*
*  -258.586
*
 PM7
F2BOH
 H=-260.7 HR=HLKS1979
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.30770555 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.37910027 +1  118.4665514 +1    0.0000000 +0     1     2     0
  F     1.31551195 +1  118.8334114 +1  179.9997135 +1     1     2     3
  H     0.95785730 +1  120.8882995 +1  179.9993023 +1     3     1     2