Accuracy

salr   1255 Salicylaldoxime (Geo)

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    #  Species Formula
  1245 Hexanoic acid, 6-amino-C6H13NO2
  1246 IsoleucineC6H13NO2
  1247 LeucineC6H13NO2
  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 acidC8H9NO2
  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


REF: J. O. Morley, J. Chem. Soc. Perkin Trans. II, (1987), (in press).
  
 T=600M GNORM=0.1 PM7
Salicylaldoxime
 GR=JOM1987 <N(14)-H(17)> <O(10)-N(14)>
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.83380000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.62580000 +1   16.0132998 +1    0.0000000 +0     2     1     0
  C     2.36805682 +1   73.8158342 +1   -0.0182041 +1     2     1     3
  C     1.34021146 +1  114.8761306 +1    0.0182048 +1     3     1     2
  C     1.40808592 +1  114.5155145 +1  179.9969071 +1     5     3     1
  C     1.38253174 +1  118.8493447 +1  179.9986025 +1     6     5     3
  C     1.40298137 +1  120.5554349 +1    0.0011761 +1     7     6     5
  C     1.38542115 +1  120.2019834 +1    0.0001807 +1     8     7     6
  C     1.29666477 +1  106.5544174 +1   -0.0340037 +1     2     1     3
  O     1.38223653 +1  140.7162384 +1 -179.9567487 +1     2     1     3
  H     1.08739703 +1  119.1117515 +1   -0.0003975 +1     6     5     3
  H     1.09054371 +1  119.9838340 +1 -179.9996549 +1     7     6     5
  H     1.08675580 +1  119.5802522 +1 -179.9998042 +1     8     7     6
  H     1.09083039 +1  119.8259785 +1  179.9993497 +1     9     8     7
  H     1.09990703 +1  124.0511907 +1 -179.9774575 +1    10     2     1
  H     1.00528031 +1  102.9894911 +1   -0.3103768 +1    11     2     1