PM7 Accuracy

sec-butyl nitrite   1232 Sec-butyl nitrite

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    #  Species Formula
  1222 N-MethylglycineC3H7NO2
  1223 Propyl nitriteC3H7NO2
  1224 UrethaneC3H7NO2
  1225 Methyl cyanoacetateC4H5NO2
  1226 SuccinimideC4H5NO2
  1227 2-NitrobutaneC4H9NO2
  1228 2-NitroisobutaneC4H9NO2
  1229 4-Aminobutanoic acidC4H9NO2
  1230 Isobutyl nitriteC4H9NO2
  1231 n-Butyl nitriteC4H9NO2
  1232 Sec-butyl nitrite C4H9NO2
  1233 t-Butyl nitriteC4H9NO2
  1234 DiethanolamineC4H11NO2
  1235 N-MethylmaleimideC5H5NO2
  1236 GlutarimideC5H7NO2
  1237 N-MethylsuccinimideC5H7NO2
  1238 ProlineC5H9NO2
  1239 5-Aminovaleric acidC5H11NO2
  1240 N,N-Dimethylglycine methyl esterC5H11NO2
  1241 tert-Pentyl nitriteC5H11NO2
  1242 ValineC5H11NO2


DHf: -36.5 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
Sec-butyl nitrite
 H=-36.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52472714  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.44651268  1  104.8878828  1    0.0000000  0     2     1     0
  N     1.37507682  1  111.3129050  1  119.2406380  1     3     2     1
  O     1.17784732  1  112.0491730  1  179.9902427  1     4     3     2
  H     1.09772224  1  111.4240948  1   55.1116366  1     1     2     3
  H     1.09544562  1  111.2402093  1  120.1642555  1     1     2     6
  C     1.53513573  1  113.3435920  1 -113.6117472  1     2     1     3
  H     1.09686029  1  111.2582277  1  120.4376004  1     1     2     7
  H     1.10897568  1  109.3526475  1  158.7119721  1     8     2     1
  H     1.10659433  1  110.2687481  1 -115.1958425  1     8     2    10
  C     1.52522409  1  110.9433151  1 -122.9840788  1     8     2    11
  H     1.11219128  1  111.5746896  1 -126.5654554  1     2     1     8
  H     1.09633214  1  111.7707843  1  -60.7864760  1    12     8     2
  H     1.09607646  1  111.7498341  1  120.7761700  1    12     8    14
  H     1.09705341  1  111.0138622  1  119.5844790  1    12     8    15