PM7 Accuracy

phosphorus trioxide   2046 Phosphorus trioxide

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    #  Species Formula
  2036 Pyrophosphoric acid (Geo)H4O7P2
  2037 Pyrophosphoric acid (Geo)H4O7P2
  2038 Pyrophosphoric acidH4O7P2
  2039 P2F4 (Geo)F4P2
  2040 Methyl triphosphate anionCH6O10P3
  2041 Methyl triphosphate (Geo)CH7O10P3
  2042 Methyl triphosphateCH7O10P3
  2043 Phosphorus tetramer (Geo)P4
  2044 Phosphorus, tetramerP4
  2045 Phosphorus trioxide (Geo)O6P4
  2046 Phosphorus trioxide O6P4
  2047 Phosphorus pentoxide (Geo)O10P4
  2048 Phosphorus pentoxideO10P4
  2049 Mg(II)O6(2-) (FAPSIY) (Geo)C4H16O16MgP4
  2050 Sulfur, cationS
  2051 Sulfur, atomS
  2052 Sulfur, anionS
  2053 Hydrogen sulfide (HS)HS
  2054 Hydrogen sulfide, anionHS
  2055 Hydrogen sulfide (Geo)H2S
  2056 Hydrogen sulfide (H2S)H2S


DHf: -375.5 kcal/mol,     REF: G. Pilcher, "The Chemistry of Organophosphorus Compounds", F. R. Hartley, Ed., Wiley, New York, 1989.
  
 SYMMETRY PM7
Phosphorus trioxide
 H=-375.5 HR=PP1989
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
 XX     1.83654917  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.83654917  0   90.0000000  0    0.0000000  0     2     1     0
  O     1.83654917  0  180.0000000  0    0.0000000  0     2     1     3
  O     1.83654917  0  180.0000000  0    0.0000000  0     2     3     4
  O     1.83654917  0   90.0000000  0   90.0000000  0     2     1     3
  O     1.83654917  0  180.0000000  0    0.0000000  0     2     6     3
  P     1.79734902  1   54.7277874  1   44.9971064  1     2     1     3
  P     1.79734902  0  109.5000000  0   60.0000000  0     2     8     5
  P     1.79734902  0  109.5000000  0  180.0000000  0     2     8     5
  P     1.79734902  0  109.5000000  0  -60.0000000  0     2     8     5
 
   2  1    3    4    5    6    7
   8  1    9   10   11