PM7 Accuracy

isobutyl nitrite   1230 Isobutyl nitrite

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    #  Species Formula
  1220 beta-AlanineC3H7NO2
  1221 IsopropylnitriteC3H7NO2
  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 nitrite C4H9NO2
  1231 n-Butyl nitriteC4H9NO2
  1232 Sec-butyl nitriteC4H9NO2
  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


DHf: -36.1 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
Isobutyl nitrite
 H=-36.1 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  O     1.43273312  1    0.0000000  0    0.0000000  0     1     0     0
  N     1.37907669  1  111.4691078  1    0.0000000  0     2     1     0
  O     1.17728732  1  111.8881728  1 -178.2772009  1     3     2     1
  C     1.53680432  1  108.3497089  1  100.9138322  1     1     2     3
  H     1.11998680  1  108.1386856  1   34.7783794  1     5     1     2
  C     1.52960223  1  110.7986673  1 -119.1687572  1     5     1     6
  C     1.53078572  1  109.3438927  1 -122.1071715  1     5     1     7
  H     1.10239070  1  111.9158194  1 -124.6950867  1     1     2     5
  H     1.09567880  1  111.7531955  1  -62.1635472  1     8     5     1
  H     1.09540336  1  111.8059652  1  121.0641630  1     8     5    10
  H     1.09690924  1  110.9271026  1  119.4933802  1     8     5    11
  H     1.10651522  1  101.9965152  1 -116.6602434  1     1     2     9
  H     1.09706460  1  111.3389132  1   55.8901324  1     7     5     1
  H     1.09540141  1  111.8939807  1 -120.2556598  1     7     5    14
  H     1.09581438  1  111.2517764  1 -120.1439076  1     7     5    15