PM7 Accuracy

tetranitromethane   1470 Tetranitromethane

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    #  Species Formula
  1460 2-(Diacetoxymethyl)-5-nitrofuranC9H9NO7
  1461 ASP-ASPC8H11N2O7
  1462 2,4,6-TrinitroanisoleC7H5N3O7
  1463 2,4,6-TrinitrophenetoleC8H7N3O7
  1464 Be(II)O4(2-) (MALBEK) (Geo)H4BeC6O8
  1465 Be(II)O4(2-) (MALBEK)H4BeC6O8
  1466 TetraethylpyromellitateC18H22O8
  1467 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8
  1468 Beryllium (EDTA) (Geo)H12BeC10N2O8
  1469 Beryllium (EDTA)H12BeC10N2O8
  1470 Tetranitromethane CN4O8
  1471 Glycerol trinitrateC3H5N3O9
  1472 Pentaerythritol tetranitrateC5H8N4O12
  1473 Pentaerythritol tetranitrate (Geo)C5H8N4O12
  1474 HexanitroethaneC2N6O12
  1475 Bis(2,2,2-trinitroethyl)-amineC4H5N7O12
  1476 Fluorine, cationF
  1477 Fluorine, 2S(g) 2s(1)2p(6)F
  1478 Fluorine, atomF
  1479 Fluoride, anionF
  1480 Hydrogen fluoride (Geo)HF


DHf: 18.5 kcal/mol,     REF: B. I. Istomin, V. Palm, Reakts. Sposobnosi Org. Soedin., 10, 583 (1973).
  
 PM7
Tetranitromethane
 H=18.5 HR=IP1973 S=120.38 CP=42.09
  N     0.03308680  1   0.00240439  1  -0.00976364  1
  C     1.57403981  1  -0.00251969  1  -0.00234523  1
  N     2.07124780  1   1.45664622  1   0.00407165  1
  O     2.97865560  1   1.70351325  1  -0.74824090  1
  N     2.09181158  1  -0.73757264  1   1.25019025  1
  N     2.10357276  1  -0.73077068  1  -1.25372982  1
  O     1.49179914  1   2.18688099  1   0.76455059  1
  O    -0.49710093  1  -0.76115888  1   0.75561716  1
  O    -0.46764777  1   0.77427550  1  -0.78514978  1
  O     2.02127918  1  -1.93764198  1   1.19900497  1
  O     2.50917790  1  -0.03521154  1   2.13472455  1
  O     3.26715186  1  -1.03398921  1  -1.20831098  1
  O     1.30125805  1  -0.91615751  1  -2.13213823  1