File: trigermane.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 (18 lines) | stat: -rw-r--r-- 864 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
*
*    48.058
*
 PM7
Trigermane
 H=54.2 HR=WEPS1982
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ge     2.42275687 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Ge     2.42290281 +1  105.5305582 +1    0.0000000 +0     1     2     0
  H     1.52684589 +1  110.3777498 +1 -119.3095079 +1     1     2     3
  H     1.52686648 +1  110.3436015 +1  119.2509620 +1     1     2     3
  H     1.52332449 +1  109.5524552 +1  120.3796600 +1     2     1     3
  H     1.52336100 +1  109.5737569 +1 -120.2112907 +1     3     1     2
  H     1.52330373 +1  109.5259255 +1 -119.5573483 +1     2     1     3
  H     1.52155548 +1  109.7001536 +1    0.3986482 +1     2     1     3
  H     1.52334624 +1  109.5487126 +1  119.7104355 +1     3     1     2
  H     1.52173025 +1  109.6589797 +1   -0.2381128 +1     3     1     2