File: bh2f.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 (11 lines) | stat: -rw-r--r-- 360 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
 
*
*   -71.071
*
 PM7
BH2F
 H=-73.2 HR=PW91D D=0.8 DR=PW91D
  B     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.18631794 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.18424702 +1  115.1463661 +1    0.0000000 +0     1     2     0
  F     1.32637001 +1  122.4167772 +1  179.9994888 +1     1     2     3