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

meno23r   1455 Trinitromethane (Geo)

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    #  Species Formula
  1445 Tri-acetyl borateH9BC6O6
  1446 Trimethyl methanetricarboxylateC7H10O6
  1447 Triethyl methanetricarboxylateC10H16O6
  1448 Triethyl 1,1,1-ethanetricarboxylateC11H18O6
  1449 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1450 Li(I)O6(+) (COLGEP)H30LiC12O6
  1451 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1452 Li(I)O6(+) (LOLNOP01)H30LiC12O6
  1453 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6
  1454 Li(I)O4 (FECWIT)H10LiC6NO6
  1455 Trinitromethane (Geo) HCN3O6
  1456 TrinitromethaneHCN3O6
  1457 1,1,1-TrinitroethaneC2H3N3O6
  1458 2,4,6-TrinitrotolueneC7H5N3O6
  1459 2-(Diacetoxymethyl)-5-nitrofuranC9H9NO7
  1460 ASP-ASPC8H11N2O7
  1461 2,4,6-TrinitroanisoleC7H5N3O7
  1462 2,4,6-TrinitrophenetoleC8H7N3O7
  1463 Be(II)O4(2-) (MALBEK) (Geo)H4BeC6O8
  1464 Be(II)O4(2-) (MALBEK)H4BeC6O8
  1465 TetraethylpyromellitateC18H22O8


REF: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin (1976).
  
 PM7
Trinitromethane
 <> <C-N> <> <> <N-C-N> <> <N=O> GR=CHKL1976
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.13393752 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.50500000 +1  108.5908814 +1    0.0000000 +0     2     1     0
  N     1.52626950 +1  110.7000000 +1  120.8179080 +1     2     1     3
  O     1.21900000 +1  114.7635132 +1   39.3146230 +1     3     2     1
  O     1.20603654 +1  117.8907441 +1 -139.9684114 +1     3     2     1
  N     1.53089353 +1  107.9353252 +1 -119.3399869 +1     2     1     3
  O     1.20481172 +1  117.1613231 +1 -143.3858277 +1     4     2     1
  O     1.20865992 +1  114.6009437 +1   36.0061135 +1     4     2     1
  O     1.20470638 +1  117.1885373 +1 -136.9975253 +1     7     2     1
  O     1.20844087 +1  114.5766451 +1   41.9263539 +1     7     2     1