PM7 Accuracy

ethyl nitrite   1215 Ethyl nitrite

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    #  Species Formula
  1205 9,10-PhenanthroquinoneC14H8O2
  1206 Nitrogen dioxide, cationNO2
  1207 Nitrogen dioxideNO2
  1208 Nitrogen dioxide (Geo)NO2
  1209 Nitrous acid (cis) (Geo)HNO2
  1210 Nitrous acid (trans) (Geo)HNO2
  1211 Nitrous acid, cisHNO2
  1212 Nitrous acid, transHNO2
  1213 Methyl nitriteCH3NO2
  1214 NitromethaneCH3NO2
  1215 Ethyl nitrite C2H5NO2
  1216 GlycineC2H5NO2
  1217 Methyl carbamateC2H5NO2
  1218 NitroethaneC2H5NO2
  1219 AlanineC3H7NO2
  1220 beta-AlanineC3H7NO2
  1221 IsopropylnitriteC3H7NO2
  1222 N-MethylglycineC3H7NO2
  1223 Propyl nitriteC3H7NO2
  1224 UrethaneC3H7NO2
  1225 Methyl cyanoacetateC4H5NO2


DHf: -25.9 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
Ethyl nitrite
 H=-25.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52027822  1    0.0000000  0    0.0000000  0     1     0     0
  O     1.43309536  1  109.6820174  1    0.0000000  0     2     1     0
  N     1.38085293  1  111.2382000  1  -84.4005267  1     3     2     1
  O     1.17681620  1  111.8449198  1  178.3915742  1     4     3     2
  H     1.09808005  1  111.2823792  1  -51.1501231  1     1     2     3
  H     1.09759078  1  111.4598131  1  119.4768264  1     1     2     6
  H     1.09579415  1  111.4752730  1  120.2938957  1     1     2     7
  H     1.10791515  1  112.5421049  1  111.9003003  1     2     1     3
  H     1.10342435  1  112.5043812  1  124.1911539  1     2     1     9