PM7 Accuracy

naphthalene    280 Naphthalene

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    #  Species Formula
   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-NonaneC9H20
   276 Tri-isopropylboraneH21BC9
   277 TripropylboraneH21BC9
   278 AzuleneC10H8
   279 Naphthalene (Geo)C10H8
   280 Naphthalene C10H8
   281 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   282 1-Butynl benzeneC10H10
   283 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10
   284 BulvaleneC10H10
   285 DiisopropenyldiacetyleneC10H10
   286 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10
   287 1,2,6,7-CyclodecatetraeneC10H12
   288 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   289 TetralinC10H12
   290 (1-Methylpropyl) benzeneC10H14


DHf: 36.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 8.1 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Naphthalene
 I=8.15 IR=LLNBS82 H=36.05,0.25 HR=C&P1970 S=79.61 CP=31.52
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.41194968  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.42250588  1  119.2735975  1    0.0000000  0     2     1     0
  C     1.42250588  0  119.2735975  0    0.0000000  0     1     2     3
  C     1.42250588  0  119.2735975  0  180.0000000  0     2     1     4
  C     1.42250588  0  119.2735975  0    0.0000000  0     1     2     5
  C     1.37074688  1  120.3781485  1    0.0000000  0     4     1     2
  C     1.37074688  0  120.3781485  0    0.0000000  0     6     1     2
  C     1.37074688  0  120.3781485  0    0.0000000  0     3     2     1
  C     1.37074688  0  120.3781485  0    0.0000000  0     5     2     1
  H     1.08838614  1  118.6929671  1    0.0000000  0     4     1     6
  H     1.08838614  0  118.6929671  0    0.0000000  0     6     1     4
  H     1.08838614  0  118.6929671  0    0.0000000  0     3     2     5
  H     1.08838614  0  118.6929671  0    0.0000000  0     5     2     3
  H     1.08850574  1  120.8410013  1    0.0000032  1     8     6    12
  H     1.08850574  0  120.8410013  0   -0.0000113  1     7     4    11
  H     1.08850574  0  120.8410013  0    0.0000018  1     9     3    13
  H     1.08850574  0  120.8410013  0   -0.0000064  1    10     5    14
 
   3  1    4    5    6
   3  2    4    5    6
   7  2    8    9   10
   7  1    8    9   10
  11  1   12   13   14
  11  2   12   13   14
  15  2   16   17   18
  15  1   16   17   18