Accuracy

isophthalamide   1291 Isophthalamide

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    #  Species Formula
  1281 HCONH2-HCONH2 (Geo)C2H6N2O2
  1282 N-NitrodimethylamineC2H6N2O2
  1283 Acetyl-ureaC3H6N2O2
  1284 PropanediamideC3H6N2O2
  1285 Pyrazine-1,4-dioxideC4H4N2O2
  1286 UracilC4H4N2O2
  1287 ThymineC5H6N2O2
  1288 m-NitroanilineC6H6N2O2
  1289 p-NitroanilineC6H6N2O2
  1290 LysineC6H14N2O2
  1291 Isophthalamide C8H8N2O2
  1292 TeraphthalamideC8H8N2O2
  1293 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1294 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1295 TryptophanC11H12N2O2
  1296 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1297 Imidodicarbonic diamideC2H5N3O2
  1298 HistidineC6H9N3O2
  1299 ArgenineC6H14N4O2
  1300 Ozone (Geo)O3
  1301 OzoneO3


ΔHf: -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