PM7 Accuracy

t-butyl nitrite   1233 t-Butyl nitrite

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    #  Species Formula
  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 nitriteC4H9NO2
  1233 t-Butyl nitrite C4H9NO2
  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
  1243 1,1-Dimethoxy-trimethylamineC5H13NO2


DHf: -41.0 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
t-Butyl nitrite
 H=-41.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52587665  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.45030553  1  109.7779556  1    0.0000000  0     2     1     0
  N     1.37391672  1  113.4275389  1   61.8022135  1     3     2     1
  O     1.17882592  1  111.6286210  1  179.9223449  1     4     3     2
  H     1.09702793  1  111.1961046  1   51.1977726  1     1     2     3
  H     1.09490457  1  111.4067168  1  120.2198532  1     1     2     6
  C     1.52551107  1  112.3450148  1  122.4559623  1     2     1     3
  C     1.53213570  1  111.7995575  1  126.5707980  1     2     1     8
  H     1.09738081  1  111.5918453  1  120.2258600  1     1     2     7
  H     1.09704309  1  111.2309529  1 -172.9770174  1     8     2     1
  H     1.09740563  1  111.5959336  1  119.5824081  1     8     2    11
  H     1.09498422  1  111.3592797  1  120.1748298  1     8     2    12
  H     1.09729627  1  111.3144159  1  177.1413945  1     9     2     1
  H     1.09745176  1  111.2794385  1 -119.2568137  1     9     2    14
  H     1.09431030  1  111.0835913  1 -120.3533909  1     9     2    15