PM7 Accuracy

p-aminobenzoic acid   1256 p-Aminobenzoic acid

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1246 ortho Nitroso-phenolC6H5NO2
  1247 Ethyl 2-cyanopropionateC6H9NO2
  1248 Ethyl N,N-dimethylglycinateC6H13NO2
  1249 Hexanoic acid, 6-amino-C6H13NO2
  1250 IsoleucineC6H13NO2
  1251 LeucineC6H13NO2
  1252 Methyl N,N-dimethylalaninateC6H13NO2
  1253 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1254 m-Aminobenzoic acidC7H7NO2
  1255 o-Aminobenzoic acidC7H7NO2
  1256 p-Aminobenzoic acid C7H7NO2
  1257 p-NitrotolueneC7H7NO2
  1258 PhenylnitromethaneC7H7NO2
  1259 Salicylaldoxime (Geo)C7H7NO2
  1260 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1261 2,6-DimethylnitrobenzeneC8H9NO2
  1262 2-Amino-2-phenylacetic acidC8H9NO2
  1263 2-Nitro-m-xyleneC8H9NO2
  1264 N-PhenylglycineC8H9NO2
  1265 8-Aminocaprylic acidC8H17NO2
  1266 2-Methyl-1H-isoindole-1,3(2H)-dioneC9H7NO2


DHf: -70.2 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
p-Aminobenzoic acid
 H=-70.24 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41376702  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.38416410  1  119.4594091  1    0.0000000  0     2     1     0
  C     1.40011996  1  120.3483948  1   -0.0182747  1     3     2     1
  C     1.40228066  1  120.1544417  1    0.0023095  1     4     3     2
  C     1.38297939  1  120.4596288  1    0.0121053  1     5     4     3
  N     1.37606758  1  119.9040701  1 -179.9659080  1     1     2     3
  C     1.45765915  1  121.7424914  1  179.9975363  1     4     3     5
  O     1.36548128  1  112.1273237  1   -0.0035521  1     8     4     3
  O     1.20706496  1  128.4270720  1  179.9898543  1     8     4     9
  H     1.09489976  1  119.9946380  1 -179.9945376  1     3     2     4
  H     1.09579668  1  119.2357164  1  179.9978151  1     5     4     6
  H     1.08439963  1  120.4675658  1  179.9995571  1     6     5     4
  H     0.99438854  1  121.2681225  1 -179.9934032  1     7     1     2
  H     0.99427833  1  121.2833180  1 -179.9943266  1     7     1    14
  H     1.08425504  1  120.1560516  1  179.9861273  1     2     1     3
  H     0.98789076  1  112.7656953  1  179.9991587  1     9     8     4