PM7 Accuracy

teraphthalamide   1295 Teraphthalamide

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    #  Species Formula
  1285 N-NitrodimethylamineC2H6N2O2
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2
  1288 Pyrazine-1,4-dioxideC4H4N2O2
  1289 UracilC4H4N2O2
  1290 ThymineC5H6N2O2
  1291 m-NitroanilineC6H6N2O2
  1292 p-NitroanilineC6H6N2O2
  1293 LysineC6H14N2O2
  1294 IsophthalamideC8H8N2O2
  1295 Teraphthalamide C8H8N2O2
  1296 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1297 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1298 TryptophanC11H12N2O2
  1299 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1300 Imidodicarbonic diamideC2H5N3O2
  1301 HistidineC6H9N3O2
  1302 ArgenineC6H14N4O2
  1303 Ozone (Geo)O3
  1304 OzoneO3
  1305 LiOH.2H2OH5LiO3


DHf: -69.7 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
Teraphthalamide
 H=-69.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39411691  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39286415  1  119.4838474  1    0.0000000  0     2     1     0
  C     1.39482688  1  119.5601566  1    0.3813628  1     3     2     1
  C     1.39385833  1  120.9618425  1   -0.3452048  1     4     3     2
  C     1.39311438  1  119.4694428  1    0.4199213  1     5     4     3
  C     1.48949656  1  120.9402338  1 -178.6424812  1     1     2     3
  O     1.21307698  1  123.4174537  1  127.0196546  1     7     1     2
  N     1.38226698  1  116.5487772  1  179.6836519  1     7     1     8
  C     1.48963080  1  118.0943756  1 -178.1534821  1     4     3     5
  O     1.21307392  1  123.4106259  1   52.1688084  1    10     4     3
  N     1.38225962  1  116.5123977  1 -179.6734999  1    10     4    11
  H     1.08991610  1  120.4867214  1  179.4325252  1     2     1     3
  H     1.09198435  1  120.4937450  1 -179.3405664  1     3     2     4
  H     1.08989543  1  120.5366954  1 -179.4623899  1     5     4     6
  H     1.09209242  1  120.4444258  1  178.9495285  1     6     5     4
  H     0.99540175  1  122.7396439  1   -4.3894440  1     9     7     1
  H     1.00108675  1  119.8781134  1 -174.1728642  1     9     7    17
  H     0.99540144  1  122.7289653  1    4.0875095  1    12    10     4
  H     1.00112786  1  119.8902566  1  174.3531066  1    12    10    19