Accuracy

n-phenylglycine   1260 N-Phenylglycine

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    #  Species Formula
  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 acidC8H9NO2
  1259 2-Nitro-m-xyleneC8H9NO2
  1260 N-Phenylglycine C8H9NO2
  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
  1269 1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinolC9H19NO2
  1270 1-Nitroso-2-naphthalenolC10H7NO2


ΔHf: -64.2 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
N-Phenylglycine
 H=-64.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39266914 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39183618 +1  120.7069164 +1    0.0000000 +0     2     1     0
  C     1.40297250 +1  119.5980661 +1   -0.0925579 +1     3     2     1
  C     1.40839895 +1  119.7497099 +1    0.1659426 +1     4     3     2
  C     1.38874253 +1  119.7681684 +1   -0.2860957 +1     5     4     3
  N     1.41358776 +1  122.2385549 +1 -174.6316803 +1     4     3     5
  C     1.46034391 +1  118.5963578 +1  -32.2235909 +1     7     4     3
  C     1.51502866 +1  111.6895927 +1  -82.1205091 +1     8     7     4
  O     1.35506520 +1  110.0042679 +1  160.1729420 +1     9     8     7
  O     1.20032416 +1  128.0888480 +1  178.9047470 +1     9     8    10
  H     1.08607453 +1  120.2211718 +1 -179.8099335 +1     1     2     3
  H     1.08972544 +1  119.8091289 +1  179.9710118 +1     2     1     3
  H     1.08545382 +1  119.4573768 +1 -179.2793446 +1     3     2     4
  H     1.08656583 +1  120.2497001 +1  179.8994831 +1     5     4     6
  H     1.08991987 +1  119.6916548 +1 -179.9764574 +1     6     5     4
  H     1.02218191 +1  114.2915837 +1 -136.0506360 +1     7     4     8
  H     1.11691712 +1  111.4603268 +1  124.5396996 +1     8     7     9
  H     1.12096305 +1  108.3595524 +1  115.3922658 +1     8     7    18
  H     0.99025316 +1  113.8341485 +1 -179.7532821 +1    10     9     8