Accuracy

tert-pentyl nitrite   1237 tert-Pentyl nitrite

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    #  Species Formula
  1227 n-Butyl nitriteC4H9NO2
  1228 Sec-butyl nitriteC4H9NO2
  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 nitrite C5H11NO2
  1238 ValineC5H11NO2
  1239 1,1-Dimethoxy-trimethylamineC5H13NO2
  1240 NiacinC6H5NO2
  1241 NitrobenzeneC6H5NO2
  1242 ortho Nitroso-phenolC6H5NO2
  1243 Ethyl 2-cyanopropionateC6H9NO2
  1244 Ethyl N,N-dimethylglycinateC6H13NO2
  1245 Hexanoic acid, 6-amino-C6H13NO2
  1246 IsoleucineC6H13NO2
  1247 LeucineC6H13NO2


ΔHf: -45.8 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
tert-Pentyl nitrite
 H=-45.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53704754 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.45389562 +1  108.2786209 +1    0.0000000 +0     2     1     0
  N     1.37317637 +1  113.6246556 +1   64.1801612 +1     3     2     1
  O     1.17900639 +1  111.6591193 +1  179.3750055 +1     4     3     2
  H     1.10830145 +1  109.1407812 +1   49.1523627 +1     1     2     3
  C     1.52558252 +1  112.6638921 +1  122.5739717 +1     1     2     6
  C     1.52473525 +1  113.1888260 +1  121.7245472 +1     2     1     3
  C     1.53159513 +1  112.9438998 +1  128.1892158 +1     2     1     8
  H     1.10872051 +1  109.5190312 +1  122.4822056 +1     1     2     7
  H     1.09712065 +1  111.1476944 +1 -169.7669736 +1     8     2     1
  H     1.09728943 +1  111.6590384 +1  119.7481715 +1     8     2    11
  H     1.09524610 +1  111.3912008 +1  120.1995063 +1     8     2    12
  H     1.09790341 +1  111.1010138 +1  170.1145687 +1     9     2     1
  H     1.09684057 +1  111.4125805 +1 -119.3450633 +1     9     2    14
  H     1.09453362 +1  111.1466820 +1 -120.5963452 +1     9     2    15
  H     1.09593063 +1  111.7112825 +1   60.3449409 +1     7     1     2
  H     1.09707858 +1  110.8639414 +1  119.4526272 +1     7     1    17
  H     1.09573868 +1  111.8847002 +1  119.5404950 +1     7     1    18