PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

pyrophosphoric acid r   2035 Pyrophosphoric acid (Geo)

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    #  Species Formula
  2025 Phosphous oxyfluoride (Geo)OF3P
  2026 Phosphorus tetrafluorideF4P
  2027 Phosphorus tetrafluoride, anionF4P
  2028 Phosphorus pentafluoride (Geo)F5P
  2029 Phosphorus pentafluorideF5P
  2030 Phosphorus hexafluoride, anionF6P
  2031 Phosphorus dimer (Geo)P2
  2032 Phosphorus, dimerP2
  2033 P2H4H4P2
  2034 Pyrophosphoric acid (Geo)H4O7P2
  2035 Pyrophosphoric acid (Geo) H4O7P2
  2036 Pyrophosphoric acidH4O7P2
  2037 P2F4 (Geo)F4P2
  2038 Methyl triphosphate anionCH6O10P3
  2039 Methyl triphosphate (Geo)CH7O10P3
  2040 Methyl triphosphateCH7O10P3
  2041 Phosphorus tetramer (Geo)P4
  2042 Phosphorus, tetramerP4
  2043 Phosphorus trioxide (Geo)O6P4
  2044 Phosphorus trioxideO6P4
  2045 Phosphorus pentoxide (Geo)O10P4


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Pyrophosphoric acid
 <P-O(P)> <P-O(H)><O-P-O> <><><> <P=O><><> <><P-O-P> 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  106.8355870 +1    0.0000000 +0     2     1     0
  O     1.60279061 +1  106.1064384 +1  110.3610336 +1     2     1     3
  O     1.48373700 +1  109.0895396 +1  128.1407191 +1     2     1     4
  P     1.63230493 +1  119.2936650 +1  -73.9005630 +1     1     2     3
  O     1.58084038 +1  110.3122667 +1  -68.1818610 +1     6     1     2
  O     1.60429617 +1  104.2678715 +1  110.8030807 +1     6     1     7
  O     1.45019786 +1  107.5985858 +1  126.3404935 +1     6     1     8
  H     1.02482871 +1  109.0554525 +1   65.6126047 +1     3     2     1
  H     1.01810612 +1  109.4663047 +1  141.4891947 +1     4     2     1
  H     1.02933623 +1  110.6342170 +1   65.8299104 +1     7     6     1
  H     1.01502413 +1  109.9844494 +1  140.7928389 +1     8     6     1