File: sof3.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-- 421 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
 
*
*  -165.263
*
 PM7
SOF3
 H=-137.2 HR=WHSMC03
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.54399763 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.57305674 +1   93.0711135 +1    0.0000000 +0     1     2     0
  F     1.57288380 +1   93.2217537 +1   94.1231270 +1     1     2     3
  O     1.40015604 +1  144.7712850 +1  132.8567512 +1     1     2     4