Accuracy

sec-butyl nitrite   1228 Sec-butyl nitrite

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    #  Species Formula
  1218 N-MethylglycineC3H7NO2
  1219 Propyl nitriteC3H7NO2
  1220 UrethaneC3H7NO2
  1221 Methyl cyanoacetateC4H5NO2
  1222 SuccinimideC4H5NO2
  1223 2-NitrobutaneC4H9NO2
  1224 2-NitroisobutaneC4H9NO2
  1225 4-Aminobutanoic acidC4H9NO2
  1226 Isobutyl nitriteC4H9NO2
  1227 n-Butyl nitriteC4H9NO2
  1228 Sec-butyl nitrite C4H9NO2
  1229 t-Butyl nitriteC4H9NO2
  1230 DiethanolamineC4H11NO2
  1231 N-MethylmaleimideC5H5NO2
  1232 GlutarimideC5H7NO2
  1233 N-MethylsuccinimideC5H7NO2
  1234 ProlineC5H9NO2
  1235 5-Aminovaleric acidC5H11NO2
  1236 N,N-Dimethylglycine methyl esterC5H11NO2
  1237 tert-Pentyl nitriteC5H11NO2
  1238 ValineC5H11NO2


ΔHf: -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