PM7 Accuracy

n-nonane    275 n-Nonane

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    #  Species Formula
   265 3-Methyl heptaneC8H18
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   269 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   270 alpha-Methyl styreneC9H10
   271 Cyclopropyl benzeneC9H10
   272 1,3,5-Trimethyl cyclohexaneC9H18
   273 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   274 3,3-DiethylpentaneC9H20
   275 n-Nonane C9H20
   276 Tri-isopropylboraneH21BC9
   277 TripropylboraneH21BC9
   278 AzuleneC10H8
   279 Naphthalene (Geo)C10H8
   280 NaphthaleneC10H8
   281 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   282 1-Butynl benzeneC10H10
   283 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10
   284 BulvaleneC10H10
   285 DiisopropenyldiacetyleneC10H10


DHf: -54.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
n-Nonane
 H=-54.66,0.25 HR=C&P1970
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52863806  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53498724  1  110.9242845  1    0.0000000  0     2     1     0
  C     1.53383179  1  110.7419289  1  179.9517531  1     3     2     1
  C     1.53412430  1  110.7139855  1  179.9686653  1     4     3     2
  C     1.53406422  1  110.6615644  1  179.9205629  1     5     4     3
  C     1.53391604  1  110.7078587  1  179.9626272  1     6     5     4
  C     1.53466675  1  110.7568270  1  179.9128221  1     7     6     5
  C     1.52871671  1  110.8999733  1  179.9574683  1     8     7     6
  H     1.09554301  1  111.2310035  1  179.9059935  1     9     8     7
  H     1.09565478  1  111.4433204  1   59.9557082  1     9     8     7
  H     1.09564367  1  111.4335249  1  -60.1540268  1     9     8     7
  H     1.10631591  1  109.9542831  1   58.0998970  1     8     7     6
  H     1.10631983  1  109.9612329  1  -58.1638181  1     8     7     6
  H     1.10580789  1  110.0666854  1   58.0842020  1     7     6     5
  H     1.10579680  1  110.0561051  1  -58.2642078  1     7     6     5
  H     1.10591717  1  109.9883744  1   58.1493695  1     6     5     4
  H     1.10592111  1  109.9946102  1  -58.1946032  1     6     5     4
  H     1.10591736  1  110.0119253  1   58.1015811  1     5     4     3
  H     1.10590137  1  110.0017375  1  -58.2623093  1     5     4     3
  H     1.10592431  1  110.0002325  1   58.1640079  1     4     3     2
  H     1.10592778  1  110.0070617  1  -58.1924261  1     4     3     2
  H     1.10576388  1  109.9390492  1   58.0447817  1     3     2     1
  H     1.10574196  1  109.9289303  1  -58.1586901  1     3     2     1
  H     1.10631190  1  109.9566476  1   58.0713021  1     2     3     4
  H     1.10628539  1  109.9496685  1  -58.1819816  1     2     3     4
  H     1.09553784  1  111.2271013  1 -179.9226266  1     1     2     3
  H     1.09564505  1  111.4397524  1   60.1398897  1     1     2     3
  H     1.09565632  1  111.4495854  1  -59.9749527  1     1     2     3