PM7 Accuracy

triethyl 1,1,1-ethanetricarboxylate   1449 Triethyl 1,1,1-ethanetricarboxylate

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    #  Species Formula
  1439 THR-THRC8H16N2O5
  1440 Li(+)(H2O)5.OHH11LiO6
  1441 Li(+)(H2O)5.OH (Geo)H11LiO6
  1442 Li(+)(H2O)6H12LiO6
  1443 Li(+)(H2O)6 (Geo)H12LiO6
  1444 B3O3(OH)3H3B3O6
  1445 Tri-acetyl borate (Geo)H9BC6O6
  1446 Tri-acetyl borateH9BC6O6
  1447 Trimethyl methanetricarboxylateC7H10O6
  1448 Triethyl methanetricarboxylateC10H16O6
  1449 Triethyl 1,1,1-ethanetricarboxylate C11H18O6
  1450 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1451 Li(I)O6(+) (COLGEP)H30LiC12O6
  1452 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1453 Li(I)O6(+) (LOLNOP01)H30LiC12O6
  1454 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6
  1455 Li(I)O4 (FECWIT)H10LiC6NO6
  1456 Trinitromethane (Geo)HCN3O6
  1457 TrinitromethaneHCN3O6
  1458 1,1,1-TrinitroethaneC2H3N3O6
  1459 2,4,6-TrinitrotolueneC7H5N3O6


DHf: -286.2 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
Triethyl 1,1,1-ethanetricarboxylate
 H=-286.19 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52595966  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52073807  1  110.2940795  1    0.0000000  0     2     1     0
  O     1.35053956  1  108.8244613  1   55.3603073  1     3     2     1
  C     1.43946277  1  115.9016116  1  177.2362676  1     4     3     2
  O     1.19987539  1  127.3306007  1 -124.3174543  1     3     2     1
  C     1.52693556  1  108.8318984  1  120.4365799  1     2     1     3
  O     1.19905174  1  126.1895049  1   27.4578263  1     7     2     1
  O     1.34762518  1  108.7764196  1 -152.1282121  1     7     2     1
  C     1.52247837  1  110.1581813  1 -120.5506100  1     2     1     3
  O     1.20096142  1  126.4879623  1 -124.4446859  1    10     2     1
  O     1.34643975  1  109.2348430  1   54.1877644  1    10     2     1
  C     1.43216421  1  117.3954517  1  179.1553411  1     9     7     2
  C     1.51823639  1  109.6508146  1  -77.7431578  1    13     9     7
  C     1.44158150  1  115.7367017  1  176.6264323  1    12    10     2
  C     1.51840602  1  103.5979732  1 -177.1364155  1    15    12    10
  C     1.51889314  1  103.6755533  1 -179.5552840  1     5     4     3
  H     1.09951565  1  111.7317472  1   62.7421239  1     1     2     3
  H     1.10184371  1  111.2930713  1 -176.7964305  1     1     2     3
  H     1.10086719  1  111.5124037  1  -57.6863326  1     1     2     3
  H     1.10456570  1  108.3502617  1  -59.1453444  1     5     4     3
  H     1.10406954  1  108.4846952  1   59.7819585  1     5     4     3
  H     1.10519390  1  109.5202674  1   46.5169020  1    13     9     7
  H     1.10712282  1  101.0021372  1  162.7233008  1    13     9     7
  H     1.09716912  1  111.4313894  1  -50.8344567  1    14    13     9
  H     1.09985190  1  111.1861284  1   68.6432411  1    14    13     9
  H     1.09564504  1  111.4464651  1 -171.4024459  1    14    13     9
  H     1.10500451  1  108.4479581  1  -56.8435434  1    15    12    10
  H     1.10372189  1  108.3031643  1   62.2118611  1    15    12    10
  H     1.09749461  1  111.5832395  1  -60.8607482  1    16    15    12
  H     1.09979478  1  111.1043680  1   58.3303465  1    16    15    12
  H     1.09582099  1  111.1612433  1  178.4469472  1    16    15    12
  H     1.09816258  1  111.4345729  1  -60.8113797  1    17     5     4
  H     1.09848598  1  111.3007166  1   58.3647275  1    17     5     4
  H     1.09599690  1  111.1362380  1  178.7036737  1    17     5     4