PM7 Accuracy

dodecylcyclohexane    385 Dodecylcyclohexane

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    #  Species Formula
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadieneC18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18
   383 [3.3]ParacyclophaneC18H20
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 Dodecylcyclohexane C18H36
   386 n-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 OctadecaneC18H38
   389 TriphenylboraneH15BC18
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40


DHf: -90.4 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 INT PM7
Dodecylcyclohexane
 H=-90.36 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53423583  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53451589  1  110.5985717  1    0.0000000  0     2     1     0
  C     1.53455536  1  110.4498555  1  -57.0249784  1     3     2     1
  C     1.53416392  1  110.6079658  1   56.9086164  1     4     3     2
  C     1.53922371  1  110.4986701  1  -57.9484957  1     5     4     3
  C     1.53915504  1  110.9518300  1  179.7325804  1     6     5     4
  C     1.53360315  1  111.5976312  1   74.1532847  1     7     6     5
  C     1.53417473  1  110.6172893  1 -178.7939511  1     8     7     6
  C     1.53377851  1  110.6443050  1 -178.8200284  1     9     8     7
  C     1.53383745  1  110.7048024  1 -179.4982574  1    10     9     8
  C     1.53379607  1  110.7042766  1 -179.5767578  1    11    10     9
  C     1.53390463  1  110.7001346  1 -179.8207907  1    12    11    10
  C     1.53385827  1  110.6935032  1 -179.8024328  1    13    12    11
  C     1.53392472  1  110.6941080  1 -179.9325246  1    14    13    12
  C     1.53374541  1  110.7017065  1 -179.9488038  1    15    14    13
  C     1.53447577  1  110.7780441  1  179.9930281  1    16    15    14
  C     1.52870123  1  110.8966856  1  179.9946709  1    17    16    15
  H     1.10513633  1  109.9849042  1  -63.4011186  1     1     2     3
  H     1.10445357  1  109.9952151  1  179.9123981  1     1     2     3
  H     1.10484694  1  110.0890861  1  121.9179715  1     2     1     3
  H     1.10583193  1  109.9259448  1 -121.5619307  1     2     1     3
  H     1.10462255  1  110.1621330  1 -178.9379496  1     3     2     1
  H     1.10571318  1  109.9071958  1   64.4298964  1     3     2     1
  H     1.10501226  1  110.0657232  1  178.6951135  1     4     3     2
  H     1.10559518  1  109.9602442  1  -64.7598834  1     4     3     2
  H     1.10525239  1  110.0015013  1   63.6777393  1     5     4     3
  H     1.10481721  1  109.9881871  1 -179.8491673  1     5     4     3
  H     1.11532266  1  108.8911798  1  -60.2040911  1     6     5     4
  H     1.10543426  1  110.0108728  1  -48.5031901  1     7     6     5
  H     1.10673841  1  109.6965903  1 -164.3998880  1     7     6     5
  H     1.10597543  1  110.2668790  1  -56.9919700  1     8     7     6
  H     1.10609575  1  109.9754314  1   59.4044306  1     8     7     6
  H     1.10606230  1  109.9866272  1   59.3794848  1     9     8     7
  H     1.10587587  1  110.0526545  1  -56.9914005  1     9     8     7
  H     1.10603625  1  110.0429867  1  -57.6684582  1    10     9     8
  H     1.10602512  1  110.0292700  1   58.6784549  1    10     9     8
  H     1.10604019  1  110.0280513  1   58.5763420  1    11    10     9
  H     1.10599606  1  110.0222844  1  -57.7606009  1    11    10     9
  H     1.10601251  1  110.0350783  1  -57.9919823  1    12    11    10
  H     1.10602520  1  110.0306430  1   58.3518393  1    12    11    10
  H     1.10603984  1  110.0301256  1   58.3574434  1    13    12    11
  H     1.10602222  1  110.0172941  1  -57.9933720  1    13    12    11
  H     1.10601608  1  110.0414396  1  -58.1128466  1    14    13    12
  H     1.10601461  1  110.0425023  1   58.2456434  1    14    13    12
  H     1.10601581  1  110.0252997  1   58.2104272  1    15    14    13
  H     1.10600048  1  110.0115916  1  -58.1340250  1    15    14    13
  H     1.10592293  1  110.0819424  1  -58.1726847  1    16    15    14
  H     1.10590491  1  110.0851714  1   58.1581524  1    16    15    14
  H     1.10642164  1  109.9963635  1   58.1131557  1    17    16    15
  H     1.10640704  1  109.9860132  1  -58.1427064  1    17    16    15
  H     1.09568198  1  111.4280333  1  -60.0160932  1    18    17    16
  H     1.09566972  1  111.4232174  1   60.0625213  1    18    17    16
  H     1.09544216  1  111.2727470  1 -179.9801006  1    18    17    16