Accuracy

trinitromethane   1454 Trinitromethane

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    #  Species Formula
  1444 Trimethyl methanetricarboxylateC7H10O6
  1445 Triethyl methanetricarboxylateC10H16O6
  1446 Triethyl 1,1,1-ethanetricarboxylateC11H18O6
  1447 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1448 Li(I)O6(+) (COLGEP)H30LiC12O6
  1449 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1450 Li(I)O6(+) (LOLNOP01)H30LiC12O6
  1451 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6
  1452 Li(I)O4 (FECWIT)H10LiC6NO6
  1453 Trinitromethane (Geo)HCN3O6
  1454 Trinitromethane HCN3O6
  1455 1,1,1-TrinitroethaneC2H3N3O6
  1456 2,4,6-TrinitrotolueneC7H5N3O6
  1457 2-(Diacetoxymethyl)-5-nitrofuranC9H9NO7
  1458 ASP-ASPC8H11N2O7
  1459 2,4,6-TrinitroanisoleC7H5N3O7
  1460 2,4,6-TrinitrophenetoleC8H7N3O7
  1461 Be(II)O4(2-) (MALBEK) (Geo)H4BeC6O8
  1462 Be(II)O4(2-) (MALBEK)H4BeC6O8
  1463 TetraethylpyromellitateC18H22O8
  1464 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8


ΔHf: -3.2 kcal/mol,     REF: G. A. Carpenter, M. F. Zimmer, E. E. Baroody, R. A. Robb, J. Chem. Eng. Data, 15, 553 (1970).
  
 PM7
Trinitromethane
 H=-3.2 HR=CZBR1970
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.13282484 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.52500390 +1  108.8776393 +1    0.0000000 +0     2     1     0
  N     1.52501847 +1  108.8953197 +1  120.0186294 +1     2     1     3
  N     1.52503922 +1  108.8531748 +1 -119.9872472 +1     2     1     3
  O     1.20911627 +1  114.5658729 +1   39.2787864 +1     3     2     1
  O     1.20512475 +1  117.3358465 +1 -139.8769936 +1     3     2     1
  O     1.20515951 +1  117.3363698 +1 -140.5662976 +1     4     2     1
  O     1.20908255 +1  114.5659631 +1   38.6407118 +1     4     2     1
  O     1.20515274 +1  117.3383238 +1 -140.0513666 +1     5     2     1
  O     1.20907315 +1  114.5719393 +1   39.1087752 +1     5     2     1