File: h4p2o7r.mop

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mopac 23.1.2-1
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file content (20 lines) | stat: -rw-r--r-- 1,038 bytes parent folder | download | duplicates (2)
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*
*  -459.413
*
 PM7
Pyrophosphoric acid
 <P-OP> <P-OH><> <><><> <P=O> GR=PW91D
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     1.63565300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.62959200 +1  107.7041314 +1    0.0000000 +0     2     1     0
  O     1.59831195 +1  103.9320899 +1  108.7785699 +1     2     1     3
  O     1.48373700 +1  107.6059964 +1  128.5476713 +1     2     1     4
  P     1.58973192 +1  141.4770944 +1  -68.9498153 +1     1     2     3
  O     1.58320031 +1  109.0847234 +1  -67.3533556 +1     6     1     2
  O     1.60163495 +1  103.6084225 +1  109.1779749 +1     6     1     7
  O     1.44910746 +1  107.3582410 +1  127.4734514 +1     6     1     8
  H     1.02583633 +1  107.5350897 +1   51.9033009 +1     3     2     1
  H     1.01937492 +1  109.5039437 +1  134.8030140 +1     4     2     1
  H     1.02832342 +1  109.2471848 +1   56.6413567 +1     7     6     1
  H     1.01474926 +1  110.0931945 +1  136.3284806 +1     8     6     1