Accuracy

2-nitroisobutane   1224 2-Nitroisobutane

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    #  Species Formula
  1214 NitroethaneC2H5NO2
  1215 AlanineC3H7NO2
  1216 beta-AlanineC3H7NO2
  1217 IsopropylnitriteC3H7NO2
  1218 N-MethylglycineC3H7NO2
  1219 Propyl nitriteC3H7NO2
  1220 UrethaneC3H7NO2
  1221 Methyl cyanoacetateC4H5NO2
  1222 SuccinimideC4H5NO2
  1223 2-NitrobutaneC4H9NO2
  1224 2-Nitroisobutane C4H9NO2
  1225 4-Aminobutanoic acidC4H9NO2
  1226 Isobutyl nitriteC4H9NO2
  1227 n-Butyl nitriteC4H9NO2
  1228 Sec-butyl nitriteC4H9NO2
  1229 t-Butyl nitriteC4H9NO2
  1230 DiethanolamineC4H11NO2
  1231 N-MethylmaleimideC5H5NO2
  1232 GlutarimideC5H7NO2
  1233 N-MethylsuccinimideC5H7NO2
  1234 ProlineC5H9NO2


ΔHf: -42.2 kcal/mol,     REF: Yu. K. Knobel, E. A. Miroschnichenko, Yu. A. Lebedev, Dokl. Akad. Nauk SSSR, 190, 348 (1970).
  
 PM7
2-Nitroisobutane
 H=-42.2 HR=KML1970
  C    -0.01792301 +1  -0.01059411 +1   0.00386019 +1
  C     1.51163403 +1   0.01453587 +1   0.02519211 +1
  C     2.04348427 +1   1.44492952 +1   0.00418626 +1
  H     3.14208620 +1   1.47418703 +1  -0.02965636 +1
  C     2.06408504 +1  -0.76346546 +1   1.22144392 +1
  N     1.98312833 +1  -0.71166030 +1  -1.23031698 +1
  H     1.72384780 +1   1.99765132 +1   0.89499480 +1
  H     1.69321513 +1   2.00140544 +1  -0.87730491 +1
  H    -0.40741267 +1  -1.03822737 +1  -0.05739077 +1
  H    -0.42945221 +1   0.54404919 +1  -0.84921193 +1
  H    -0.42926381 +1   0.43970166 +1   0.91541557 +1
  H     1.72569848 +1  -0.32057582 +1   2.16607594 +1
  H     3.16156763 +1  -0.77066056 +1   1.23898827 +1
  H     1.73251878 +1  -1.81243264 +1   1.21429699 +1
  O     2.67071865 +1  -0.10815097 +1  -2.03253029 +1
  O     1.64274946 +1  -1.87367894 +1  -1.36823535 +1