Accuracy

tetrapropyl 1,2,4,5-benzene tetracarboxylate   1464 Tetrapropyl 1,2,4,5-benzene tetracarboxylate

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    #  Species Formula
  1454 TrinitromethaneHCN3O6
  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 tetracarboxylate C22H30O8
  1465 Beryllium (EDTA) (Geo)H12BeC10N2O8
  1466 Beryllium (EDTA)H12BeC10N2O8
  1467 TetranitromethaneCN4O8
  1468 Glycerol trinitrateC3H5N3O9
  1469 Pentaerythritol tetranitrateC5H8N4O12
  1470 Pentaerythritol tetranitrate (Geo)C5H8N4O12
  1471 HexanitroethaneC2N6O12
  1472 Bis(2,2,2-trinitroethyl)-amineC4H5N7O12
  1473 Fluorine, cationF
  1474 Fluorine, 2S(g) 2s(1)2p(6)F


ΔHf: -370.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Tetrapropyl 1,2,4,5-benzene tetracarboxylate
 H=-370 HR=NIST
  C    -0.00005612 +1   0.01063723 +1  -0.00377382 +1
  C     1.39420154 +1   0.00737189 +1  -0.00505634 +1
  C     2.10334493 +1   1.20873121 +1   0.00267703 +1
  C     1.42875284 +1   2.42894910 +1  -0.01906883 +1
  C     0.03452078 +1   2.43221093 +1  -0.03059526 +1
  C    -0.67467500 +1   1.23101893 +1  -0.00774872 +1
  C    -2.15916387 +1   1.20912079 +1   0.02150644 +1
  O    -2.59580093 +1   2.09204539 +1   0.94660287 +1
  C    -4.02051462 +1   2.22550264 +1   1.07797094 +1
  C    -4.18092428 +1   3.26297271 +1   2.18759772 +1
  C    -5.66145758 +1   3.50802747 +1   2.45755102 +1
  C    -0.66620372 +1   3.74126644 +1  -0.07494354 +1
  O    -1.61494774 +1   3.70000624 +1  -1.03636192 +1
  C    -2.41554831 +1   4.88303602 +1  -1.19368084 +1
  C    -3.35572037 +1   4.52519191 +1  -2.34292849 +1
  C    -4.29174630 +1   5.69328196 +1  -2.63252512 +1
  C     2.09407839 +1  -1.30256644 +1  -0.02462418 +1
  O     3.04815238 +1  -1.27680691 +1  -0.98140819 +1
  C     3.84343026 +1  -2.46521763 +1  -1.12118239 +1
  C     4.78024579 +1  -2.13094815 +1  -2.28037987 +1
  C     5.69369369 +1  -3.31689052 +1  -2.56987096 +1
  C     3.58760788 +1   1.23064349 +1   0.04196702 +1
  O     4.01685764 +1   0.36392300 +1   0.98556972 +1
  C     5.44050039 +1   0.23237255 +1   1.13066260 +1
  C     5.59128443 +1  -0.79469754 +1   2.25124420 +1
  C     7.06920431 +1  -1.03264863 +1   2.54088632 +1
  O     1.85438777 +1  -2.26751763 +1   0.65167577 +1
  O     4.32204820 +1   1.92294427 +1  -0.61193867 +1
  O    -0.43124247 +1   4.71600636 +1   0.58894586 +1
  O    -2.88857121 +1   0.50467814 +1  -0.62484855 +1
  H    -0.55937636 +1  -0.93193902 +1  -0.00003902 +1
  H     1.98817121 +1   3.37156747 +1  -0.02711193 +1
  H    -4.44571965 +1   1.24148301 +1   1.34035114 +1
  H    -4.43098709 +1   2.55976700 +1   0.10982570 +1
  H    -3.67071827 +1   4.20584666 +1   1.90677674 +1
  H    -3.66445706 +1   2.91771861 +1   3.10599168 +1
  H    -5.79886080 +1   4.24738810 +1   3.25624180 +1
  H    -6.17262917 +1   2.59083931 +1   2.77402979 +1
  H    -6.17940081 +1   3.88830212 +1   1.56960561 +1
  H    -1.75013047 +1   5.73221687 +1  -1.42580585 +1
  H    -2.94494996 +1   5.07591244 +1  -0.24497184 +1
  H    -3.93199350 +1   3.61171358 +1  -2.09418205 +1
  H    -2.76765794 +1   4.25933122 +1  -3.24435439 +1
  H    -4.97129605 +1   5.45574607 +1  -3.46032573 +1
  H    -3.73824144 +1   6.59626688 +1  -2.91743162 +1
  H    -4.91139243 +1   5.94395919 +1  -1.76374746 +1
  H     3.17440794 +1  -3.31627821 +1  -1.33602629 +1
  H     4.37558236 +1  -2.64353696 +1  -0.17123892 +1
  H     5.37394279 +1  -1.22589316 +1  -2.04262771 +1
  H     4.18891776 +1  -1.86134712 +1  -3.17880174 +1
  H     6.37043208 +1  -3.09612959 +1  -3.40465998 +1
  H     5.12269283 +1  -4.21189918 +1  -2.84461107 +1
  H     6.31590934 +1  -3.57252915 +1  -1.70446819 +1
  H     5.86243169 +1   1.21920481 +1   1.38774904 +1
  H     5.86027856 +1  -0.11048623 +1   0.16958363 +1
  H     5.08740312 +1  -1.74162962 +1   1.97278456 +1
  H     5.06291962 +1  -0.44297459 +1   3.16048196 +1
  H     7.19965741 +1  -1.76675729 +1   3.34573605 +1
  H     7.57326052 +1  -0.11178731 +1   2.85811734 +1
  H     7.59933907 +1  -1.41652865 +1   1.66160787 +1