Accuracy

nitroethane   1051 Nitroethane

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    #  Species Formula
  1041 Nitrogen dioxide (Geo)NO2
  1042 Nitrous acid (cis)(https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1043 Nitrous acid (trans) (https://aip.scitation.org/doi/10.1063/1.1696387) (Geo)HNO2
  1044 Nitrous acid, cisHNO2
  1045 Nitrous acid, transHNO2
  1046 Methyl nitriteCH3NO2
  1047 NitromethaneCH3NO2
  1048 Ethyl nitriteC2H5NO2
  1049 GlycineC2H5NO2
  1050 Methyl carbamateC2H5NO2
  1051 Nitroethane C2H5NO2
  1052 AlanineC3H7NO2
  1053 beta-AlanineC3H7NO2
  1054 IsopropylnitriteC3H7NO2
  1055 N-MethylglycineC3H7NO2
  1056 Propyl nitriteC3H7NO2
  1057 UrethaneC3H7NO2
  1058 Methyl cyanoacetateC4H5NO2
  1059 SuccinimideC4H5NO2
  1060 2-NitrobutaneC4H9NO2
  1061 2-NitroisobutaneC4H9NO2


ΔHf: -23.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  

Nitroethane
 H=-23.5 HR=C&P1970 S=76.60 CP=18.88
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51909693 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10035053 +1  112.0034021 +1    0.0000000 +0     2     1     0
  H     1.10051039 +1  112.0177927 +1  119.2789661 +1     2     1     3
  H     1.09756726 +1  111.1389984 +1 -120.3516663 +1     2     1     3
  H     1.11521258 +1  111.5038630 +1   60.0062395 +1     1     2     3
  H     1.11524014 +1  111.4911716 +1  178.6840280 +1     1     2     3
  N     1.49323047 +1  111.6815708 +1  -60.6567369 +1     1     2     3
  O     1.21510378 +1  119.2980009 +1   -0.4014475 +1     8     1     2
  O     1.21965755 +1  116.5109738 +1  179.6053993 +1     8     1     2