Accuracy

tetraethylpyromellitate   1463 Tetraethylpyromellitate

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    #  Species Formula
  1453 Trinitromethane (Geo)HCN3O6
  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 Tetraethylpyromellitate C18H22O8
  1464 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8
  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


ΔHf: -353.0 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
Tetraethylpyromellitate
 H=-353 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39681338 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39308933 +1  119.3223465 +1    0.0000000 +0     2     1     0
  C     1.39572989 +1  120.2909943 +1   -1.1411328 +1     3     2     1
  C     1.39291118 +1  120.4076524 +1    2.2789600 +1     4     3     2
  C     1.39619193 +1  119.2486445 +1   -1.2531316 +1     5     4     3
  C     1.48565144 +1  119.4776683 +1  178.6309174 +1     3     2     4
  O     1.20224770 +1  126.3955613 +1 -133.2469492 +1     7     3     2
  O     1.35155046 +1  109.3739104 +1  178.9816933 +1     7     3     8
  C     1.43223312 +1  117.0622611 +1 -179.6020902 +1     9     7     3
  C     1.51806948 +1  109.7898879 +1   78.6079305 +1    10     9     7
  C     1.48737729 +1  120.3930542 +1 -178.5892342 +1     4     3     5
  O     1.20181391 +1  126.3323905 +1   53.1285737 +1    12     4     3
  O     1.35128271 +1  109.2176572 +1  178.3640801 +1    12     4    13
  C     1.43231582 +1  117.0264733 +1  179.6363180 +1    14    12     4
  C     1.51817647 +1  109.8000439 +1   78.6967521 +1    15    14    12
  C     1.48634536 +1  117.2513527 +1  178.4689051 +1     6     5     4
  O     1.20202380 +1  126.8020003 +1   52.0414393 +1    17     6     5
  O     1.35299620 +1  109.0433118 +1 -176.7278931 +1    17     6    18
  C     1.43124624 +1  117.1267373 +1  173.6827101 +1    19    17     6
  C     1.51883204 +1  109.4812272 +1  -78.4343127 +1    20    19    17
  C     1.48480407 +1  117.2450136 +1  178.0244065 +1     1     2     3
  O     1.20281231 +1  126.5553030 +1   40.7649514 +1    22     1     2
  O     1.35191553 +1  109.3482713 +1 -176.6586317 +1    22     1    23
  C     1.43133601 +1  117.5134084 +1  176.5680840 +1    24    22     1
  C     1.51736788 +1  110.5971261 +1   74.9883038 +1    25    24    22
  H     1.09616553 +1  120.1709910 +1  179.9159698 +1     2     1     3
  H     1.09486127 +1  120.3996007 +1 -179.8584810 +1     5     4     6
  H     1.10546913 +1  109.5699409 +1 -124.1929299 +1    10     9    11
  H     1.10677294 +1  101.0404444 +1 -116.1974967 +1    10     9    29
  H     1.10016827 +1  111.1969329 +1  -68.4278768 +1    11    10     9
  H     1.09714195 +1  111.5670539 +1  119.8057513 +1    11    10    31
  H     1.09576944 +1  111.4146364 +1  120.4829741 +1    11    10    32
  H     1.10672961 +1  101.0770396 +1  119.6005695 +1    15    14    16
  H     1.10546159 +1  109.5498142 +1  116.1658903 +1    15    14    34
  H     1.10024206 +1  111.1794192 +1  -68.1397820 +1    16    15    14
  H     1.09694045 +1  111.5743675 +1  119.8197944 +1    16    15    36
  H     1.09582796 +1  111.3902824 +1  120.4989435 +1    16    15    37
  H     1.10488205 +1  109.8433595 +1  124.0439628 +1    20    19    21
  H     1.10706781 +1  101.2156981 +1  116.7065058 +1    20    19    39
  H     1.09799810 +1  111.3480531 +1  -50.1511624 +1    21    20    19
  H     1.09942100 +1  111.2463192 +1  119.7106969 +1    21    20    41
  H     1.09569471 +1  111.4407766 +1  119.9230709 +1    21    20    42
  H     1.10773560 +1  100.8218888 +1  119.6216649 +1    25    24    26
  H     1.10496677 +1  109.1482339 +1  116.1275158 +1    25    24    44
  H     1.10080518 +1  111.1530487 +1  -67.0529691 +1    26    25    24
  H     1.09662538 +1  111.4120086 +1  119.5176259 +1    26    25    46
  H     1.09571627 +1  111.4425591 +1  120.6468232 +1    26    25    47