File: Lu5.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 (13 lines) | stat: -rw-r--r-- 522 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
13
 
*
* 30 50 70
*
  pl relscf=100 king
      Lu5
      h=100 hr=guess hwt=5 noscale
 Lu     0.00000000 +0    0.0000000 +0    0.0000000 +0                        -0.0541
 Lu     3.63861842 +0    0.0000000 +0    0.0000000 +0     1     0     0       0.0630
 Lu     3.60979329 +0   59.4019843 +0    0.0000000 +0     1     2     0      -0.0355
 Lu     3.63607525 +0   60.9600101 +0  -70.0220706 +0     1     2     3      -0.0258
 Lu     3.65644196 +0   59.8348054 +0  139.4468016 +0     4     1     2       0.0525