File: me3pr.mop

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mopac 22.0.6%2Bdfsg-1
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file content (20 lines) | stat: -rw-r--r-- 1,029 bytes parent folder | download | duplicates (3)
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*
*   -22.078
*
 PM7
Trimethylphosphine
 GR=CHKL1976 <C-P> < > <C-P-C>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     1.84300000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.89689664 +1   98.9000000 +1    0.0000000 +0     2     1     0
  H     1.11310300 +1  114.8752143 +1   53.2194767 +1     1     2     3
  H     1.12047091 +1  112.4220093 +1  174.5589214 +1     1     2     3
  H     1.12069575 +1  111.1078431 +1  -67.8626003 +1     1     2     3
  H     1.11488019 +1  110.1654158 +1   68.2180900 +1     3     2     1
  H     1.11456777 +1  111.5961430 +1 -174.1001875 +1     3     2     1
  H     1.10752745 +1  113.7731367 +1  -52.7673505 +1     3     2     1
  C     1.88045722 +1  106.6076791 +1 -109.4295870 +1     2     1     3
  H     1.10921431 +1  114.5053489 +1   50.8213946 +1    10     2     1
  H     1.11682550 +1  110.6279085 +1  172.2136642 +1    10     2     1
  H     1.11716750 +1  110.4588656 +1  -70.4378367 +1    10     2     1