Accuracy

2-amino-2-phenylacetic acid   1258 2-Amino-2-phenylacetic acid

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    #  Species Formula
  1248 Methyl N,N-dimethylalaninateC6H13NO2
  1249 N,N-Dimethylacetamide dimethyl acetalC6H15NO2
  1250 m-Aminobenzoic acidC7H7NO2
  1251 o-Aminobenzoic acidC7H7NO2
  1252 p-Aminobenzoic acidC7H7NO2
  1253 p-NitrotolueneC7H7NO2
  1254 PhenylnitromethaneC7H7NO2
  1255 Salicylaldoxime (Geo)C7H7NO2
  1256 Methyl N,N-,a,a-tetramethylglycinateC7H15NO2
  1257 2,6-DimethylnitrobenzeneC8H9NO2
  1258 2-Amino-2-phenylacetic acid C8H9NO2
  1259 2-Nitro-m-xyleneC8H9NO2
  1260 N-PhenylglycineC8H9NO2
  1261 8-Aminocaprylic acidC8H17NO2
  1262 2-Methyl-1H-isoindole-1,3(2H)-dioneC9H7NO2
  1263 NitromesityleneC9H11NO2
  1264 PhenylalanineC9H11NO2
  1265 Phenylalanine Ca-Cb-Cc should be 113.6 (Geo)C9H11NO2
  1266 2,2,6,6-Tetramethyl-4-oxo-1-piperidinyloxyC9H16NO2
  1267 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneC9H17NO2
  1268 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidinyloxyC9H18NO2


ΔHf: -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     1.39346547 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39369084 +1  120.0805701 +1    0.0000000 +0     2     1     0
  C     1.39421398 +1  119.8979331 +1   -0.0768530 +1     3     2     1
  C     1.39600271 +1  120.0316892 +1    0.5009446 +1     4     3     2
  C     1.39212795 +1  119.9701926 +1   -0.5345575 +1     5     4     3
  C     1.51114008 +1  119.5902851 +1 -179.2143629 +1     4     3     5
  N     1.47438759 +1  114.1959761 +1  116.8302333 +1     7     4     3
  C     1.52243372 +1  108.0965047 +1  119.1497291 +1     7     4     8
  O     1.35328856 +1  110.0462870 +1  102.5826973 +1     9     7     4
  O     1.20104166 +1  128.0349560 +1 -178.0121135 +1     9     7    10
  H     1.08874736 +1  120.0061771 +1  179.9856538 +1     1     2     3
  H     1.08853211 +1  120.0239577 +1  179.8671201 +1     2     1     3
  H     1.08915110 +1  119.7289959 +1  179.7629048 +1     3     2     4
  H     1.09223254 +1  120.1497301 +1  179.0141449 +1     5     4     6
  H     1.08908282 +1  119.9323113 +1  179.8767385 +1     6     5     4
  H     1.12974866 +1  110.9059982 +1  119.7312580 +1     7     4     9
  H     1.00865125 +1  111.3537657 +1  -56.3552461 +1     8     7     4
  H     1.01152377 +1  112.1397578 +1  122.5774191 +1     8     7    18
  H     0.98976713 +1  113.8177941 +1 -178.1155052 +1    10     9     7