PM7 Accuracy

2-amino-2-phenylacetic acid   1262 2-Amino-2-phenylacetic acid

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    #  Species Formula
  1252 Methyl N,N-dimethylalaninateC6H13NO2
  1253 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1254 m-Aminobenzoic acidC7H7NO2
  1255 o-Aminobenzoic acidC7H7NO2
  1256 p-Aminobenzoic acidC7H7NO2
  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 acid C8H9NO2
  1263 2-Nitro-m-xyleneC8H9NO2
  1264 N-PhenylglycineC8H9NO2
  1265 8-Aminocaprylic acidC8H17NO2
  1266 2-Methyl-1H-isoindole-1,3(2H)-dioneC9H7NO2
  1267 NitromesityleneC9H11NO2
  1268 PhenylalanineC9H11NO2
  1269 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1270 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1271 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2
  1272 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2


DHf: -67.0 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
2-Amino-2-phenylacetic acid
 H=-67.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39348328  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39385710  1  120.0994262  1    0.0000000  0     2     1     0
  C     1.39450613  1  119.8901565  1   -0.0148408  1     3     2     1
  C     1.39616800  1  120.0157591  1    0.1993956  1     4     3     2
  C     1.39214035  1  119.9742041  1   -0.2021491  1     5     4     3
  C     1.50726613  1  119.6705001  1 -178.8395390  1     4     3     5
  N     1.47404966  1  115.1443662  1  118.6109089  1     7     4     3
  C     1.51525407  1  110.5921787  1  112.3346321  1     7     4     8
  O     1.34627221  1  114.1377954  1   84.2764243  1     9     7     4
  O     1.19976096  1  121.0830728  1  178.6528512  1     9     7    10
  H     1.08870327  1  120.0043034  1  179.9622280  1     1     2     3
  H     1.08866075  1  120.0179951  1  179.9197683  1     2     1     3
  H     1.08896010  1  119.7414962  1  179.6940053  1     3     2     4
  H     1.09116337  1  120.2328697  1  179.5590696  1     5     4     6
  H     1.08910939  1  119.9505550  1  179.9276357  1     6     5     4
  H     1.12429717  1  111.3328110  1  123.6218379  1     7     4     9
  H     1.00761072  1  112.0139611  1  -62.3445952  1     8     7     4
  H     1.01146848  1  113.1677610  1  124.0303634  1     8     7    18
  H     0.99123503  1  113.7362875  1  177.9828936  1    10     9     7