File: poly_c8.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 (22 lines) | stat: -rw-r--r-- 1,012 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
 
INDO CIS CHARGE=0 


  C       0.136428 1       4.312612 1       0.000000 1
  C       0.650845 1       3.070957 1       0.000000 1
  C      -0.136428 1       1.855969 1       0.000000 1
  C       0.389263 1       0.606310 1       0.000000 1
  C      -0.389263 1      -0.606310 1       0.000000 1
  C       0.136428 1      -1.855969 1       0.000000 1
  C      -0.650845 1      -3.070957 1       0.000000 1
  C      -0.136428 1      -4.312612 1       0.000000 1
  H       0.770425 1       5.193819 1       0.000000 1
  H      -0.937761 1       4.483413 1       0.000000 1
  H       1.734237 1       2.945379 1       0.000000 1
  H      -1.221062 1       1.972790 1       0.000000 1
  H       1.474577 1       0.494288 1       0.000000 1
  H      -1.474577 1      -0.494288 1       0.000000 1
  H       1.221062 1      -1.972790 1       0.000000 1
  H      -1.734237 1      -2.945379 1       0.000000 1
  H       0.937761 1      -4.483413 1       0.000000 1
  H      -0.770425 1      -5.193819 1       0.000000 1