File: Cs2F2r.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-- 373 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
*
*  -188.626
*
 PM7
Cesium fluoride, dimer
 <Cs-F> <><F-Cs-F> GR=PW91D
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cs     2.63813500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.31082955 +1   90.7464460 +1    0.0000000 +0     2     1     0
 Cs     2.45341807 +1  103.0780682 +1   -0.0000006 +1     1     2     3