Accuracy

t-butyl nitrite   1229 t-Butyl nitrite

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    #  Species Formula
  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 nitriteC4H9NO2
  1229 t-Butyl nitrite C4H9NO2
  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
  1239 1,1-Dimethoxy-trimethylamineC5H13NO2


ΔHf: -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