PM7 Accuracy

ethyl nitrate   1342 Ethyl nitrate

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    #  Species Formula
  1332 Trimethoxymethyl benzeneC10H14O3
  1333 1-tert-Butoxy-3-propoxy-2-propanolC10H22O3
  1334 1-Butoxy-3-tert-butyl-2-propanolC11H24O3
  1335 Benzoic acid, anhydrideC14H10O3
  1336 Nitrate radicalNO3
  1337 Nitrate anionNO3
  1338 Nitric acid (Geo)HNO3
  1339 Nitric acidHNO3
  1340 Methyl nitrateCH3NO3
  1341 Oxamic acidC2H3NO3
  1342 Ethyl nitrate C2H5NO3
  1343 SerineC3H7NO3
  1344 2-NitrofuranC4H3NO3
  1345 ThreonineC4H9NO3
  1346 m-NitrophenolC6H5NO3
  1347 o-NitrophenolC6H5NO3
  1348 p-NitrophenolC6H5NO3
  1349 TyrosineC9H11NO3
  1350 Dinitrogen trioxideN2O3
  1351 Dinitrogen trioxide (Geo)N2O3
  1352 Barbituric acidC4H4N2O3


DHf: -36.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Ethyl nitrate
 HR=C&P1970 H=-36.83
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  H     1.10482398  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.51970822  1  112.8863075  1    0.0000000  0     1     2     0
  H     1.10448266  1  109.5680015  1  126.6154098  1     1     2     3
  O     1.44008629  1  109.3885952  1 -113.2321866  1     1     2     3
  N     1.39851353  1  114.5842297  1  -61.0481609  1     5     1     2
  O     1.20349569  1  112.5359821  1  179.9659671  1     6     5     1
  O     1.20904881  1  117.4456378  1   -0.0863623  1     6     5     1
  H     1.09713604  1  110.8388623  1   61.1636301  1     3     1     2
  H     1.09864530  1  111.6730035  1 -178.6454206  1     3     1     2
  H     1.09901751  1  111.6333489  1  -58.9296823  1     3     1     2