PM7 Accuracy

isophthalamide   1294 Isophthalamide

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    #  Species Formula
  1284 HCONH2-HCONH2 (Geo)C2H6N2O2
  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 Isophthalamide C8H8N2O2
  1295 TeraphthalamideC8H8N2O2
  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


DHf: -70.3 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
Isophthalamide
 H=-70.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39369139  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39359007  1  120.0236409  1    0.0000000  0     2     1     0
  C     1.39599481  1  119.8551973  1   -0.8751377  1     3     2     1
  C     1.39267615  1  120.4954740  1    1.5114526  1     4     3     2
  C     1.39394941  1  119.7024498  1   -0.3326620  1     1     2     3
  C     1.48765810  1  121.5844713  1  178.0315735  1     6     1     2
  O     1.21387899  1  123.0978106  1 -129.7534779  1     7     6     1
  N     1.38210294  1  116.8900083  1 -179.7821632  1     7     6     8
  C     1.48847231  1  117.8356655  1  179.1298973  1     4     3     5
  O     1.21421824  1  123.2021657  1  -40.9581192  1    10     4     3
  N     1.38149398  1  116.7520959  1  178.9523003  1    10     4    11
  H     1.08909252  1  120.0203299  1  179.9021783  1     2     1     3
  H     1.09358164  1  120.4881844  1  179.7054151  1     3     2     4
  H     1.09295405  1  121.1298276  1  179.2219519  1     5     4     3
  H     0.99492416  1  122.7913923  1    5.0304117  1     9     7     6
  H     1.00144121  1  119.7108807  1  173.5929038  1     9     7    16
  H     0.99625206  1  122.6450122  1   -1.6881125  1    12    10     4
  H     1.00080402  1  119.7969062  1 -176.9962416  1    12    10    18
  H     1.09019963  1  119.9637306  1  179.2123064  1     1     2     6