Accuracy

methyl triphosphate   2039 Methyl triphosphate

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    #  Species Formula
  2029 Phosphorus dimer (Geo)P2
  2030 Phosphorus, dimerP2
  2031 P2H4 (ref)H4P2
  2032 P2H4H4P2
  2033 Pyrophosphoric acid (Geo)H4O7P2
  2034 Pyrophosphoric acid (Geo)H4O7P2
  2035 Pyrophosphoric acidH4O7P2
  2036 P2F4 (Geo)F4P2
  2037 Methyl triphosphate anionCH6O10P3
  2038 Methyl triphosphate (Geo)CH7O10P3
  2039 Methyl triphosphate CH7O10P3
  2040 Phosphorus tetramer (Geo)P4
  2041 Phosphorus, tetramerP4
  2042 Phosphorus trioxide (Geo)O6P4
  2043 Phosphorus trioxideO6P4
  2044 Phosphorus pentoxide (Geo)O10P4
  2045 Phosphorus pentoxideO10P4
  2046 Mg(II)O6(2-) (FAPSIY) (Geo)C4H16O16MgP4
  2047 Sulfur, cationS
  2048 Sulfur, atomS
  2049 Sulfur, anionS


ΔHf: -637.3 kcal/mol,     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
Methyl triphosphate
 H=-637.3 HR=PW91D
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     1.57669587 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.59185339 +1  108.9973396 +1    0.0000000 +0     2     1     0
  P     1.56668224 +1  148.0364449 +1   83.1933739 +1     3     2     1
  O     1.58835669 +1  114.6835385 +1  -45.5018466 +1     4     3     2
  P     1.56277925 +1  152.9434836 +1  -18.8958068 +1     5     4     3
  O     1.60294512 +1  109.0662533 +1   49.4463989 +1     6     5     4
  O     1.45169691 +1  107.7546194 +1  129.7660926 +1     6     5     7
  O     1.59405392 +1  103.9479476 +1  128.3124741 +1     6     5     8
  O     1.59742790 +1  104.5193300 +1  104.9448561 +1     4     3     5
  O     1.44418358 +1  108.9016337 +1  126.0610264 +1     4     3    10
  O     1.59709343 +1  101.5245247 +1  114.8786933 +1     2     1     3
  O     1.44934006 +1  112.9910187 +1  128.2457111 +1     2     1    12
  C     1.43840248 +1  122.0143931 +1   69.5436625 +1     7     6     5
  H     1.03646959 +1  109.0876876 +1  -56.6186560 +1     1     2     3
  H     1.02997922 +1  107.1350807 +1 -163.2117329 +1     9     6     5
  H     1.02643140 +1  109.0999068 +1 -148.9290552 +1    10     4     3
  H     1.02117275 +1  109.0985978 +1 -171.4219143 +1    12     2     1
  H     1.09919460 +1  115.2480327 +1  -54.7737492 +1    14     7     6
  H     1.09811255 +1  111.8013983 +1  127.0848078 +1    14     7    19
  H     1.10464147 +1   99.8874610 +1  116.3356556 +1    14     7    20