PM7 Accuracy

1,1'-diphenyl-1,1'-bicyclohexyl    415 1,1'-Diphenyl-1,1'-bicyclohexyl

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    #  Species Formula
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   412 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   413 n-HexadecylcyclohexaneC22H44
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexyl C24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluoreneC26H18
   420 1,1,1,2-TetraphenylethaneC26H22
   421 1,1,2,2-TetraphenylethaneC26H22
   422 Pentacyclo hexacosa nonaneC26H26
   423 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butaneC26H38
   424 11-n-butyl docosaneC26H54
   425 5-n-butyl docosaneC26H54


DHf: 10.4 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.
  
 PM7
1,1'-Diphenyl-1,1'-bicyclohexyl
 H=10.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.55046555  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53459040  1  111.8726889  1    0.0000000  0     1     2     0
  C     1.53285878  1  110.4431159  1  -59.8855170  1     3     1     2
  C     1.53268398  1  109.9444467  1   56.1993099  1     4     3     1
  C     1.53447455  1  110.4136837  1  -56.2767706  1     5     4     3
  C     1.58943497  1  110.1932413  1  178.6518407  1     2     1     3
  C     1.55043932  1  110.2354859  1   63.8991548  1     7     2     1
  C     1.53459844  1  111.8442278  1  178.6947057  1     8     7     2
  C     1.53280049  1  110.4163699  1  -59.9671537  1     9     8     7
  C     1.55049527  1  110.2242222  1  116.1708508  1     7     2     8
  C     1.53282208  1  109.9304704  1   56.3078470  1    10     9     8
  C     1.51828333  1  108.7489494  1  121.9257064  1     7     2    11
  C     1.39971655  1  120.9401538  1   89.6498411  1    13     7     2
  C     1.39237431  1  121.0025912  1 -179.2915441  1    14    13     7
  C     1.39241699  1  120.2578466  1    0.0450964  1    15    14    13
  C     1.39244858  1  119.3677430  1   -0.0251318  1    16    15    14
  C     1.39240079  1  120.2514539  1   -0.0342048  1    17    16    15
  C     1.51829025  1  111.0164894  1  120.5440826  1     2     1     7
  C     1.39975692  1  120.9723788  1  148.9550118  1    19     2     1
  C     1.39980187  1  120.9158475  1  179.3122525  1    19     2    20
  C     1.39233163  1  121.0118849  1 -179.3263582  1    21    19     2
  C     1.39242320  1  120.2525977  1    0.0036884  1    22    21    19
  C     1.39239183  1  119.3656505  1   -0.0010003  1    23    22    21
  H     1.10290546  1  111.1853880  1  123.4968486  1     1     2     3
  H     1.10880747  1  109.1555294  1  116.2446906  1     1     2    25
  H     1.10470886  1  109.8742761  1 -121.8795373  1     3     1     4
  H     1.10686639  1  110.2266655  1 -116.5841789  1     3     1    27
  H     1.10432923  1  110.2782583  1  121.8594502  1     4     3     5
  H     1.10595214  1  110.0029256  1  116.7706654  1     4     3    29
  H     1.10483763  1  110.2698246  1 -121.5994031  1     5     4     6
  H     1.10681714  1  109.7990147  1 -116.5948870  1     5     4    31
  H     1.10302033  1  110.0813902  1 -175.8522173  1     6     5     4
  H     1.10876678  1  108.6499248  1  115.2997190  1     6     5    33
  H     1.10289465  1  111.1824503  1  123.4932411  1     8     7     9
  H     1.10881758  1  109.1606222  1  116.2433426  1     8     7    35
  H     1.10469637  1  109.8736417  1 -121.8559473  1     9     8    10
  H     1.10680185  1  110.2527914  1 -116.5975225  1     9     8    37
  H     1.10438441  1  110.2788908  1  121.8207832  1    10     9    12
  H     1.10593155  1  110.0340860  1  116.7963507  1    10     9    39
  H     1.10301603  1  111.1785956  1   57.7297716  1    11     7     2
  H     1.10882572  1  109.1777537  1 -116.2196256  1    11     7    41
  H     1.10480497  1  110.2706096  1 -177.8588466  1    12    10     9
  H     1.10663322  1  109.8353515  1 -116.6387861  1    12    10    43
  H     1.08910254  1  120.2562461  1 -179.9281611  1    14    13    15
  H     1.08804084  1  119.7505749  1  179.9914988  1    15    14    16
  H     1.08635864  1  120.3041655  1 -179.9767454  1    16    15    17
  H     1.08805667  1  120.0027240  1 -179.9392585  1    17    16    18
  H     1.08916843  1  118.7469118  1 -179.9234006  1    18    17    16
  H     1.08914531  1  120.2539368  1   -0.6558567  1    20    19     2
  H     1.08909498  1  120.2567913  1 -179.9585444  1    21    19    22
  H     1.08801636  1  119.7591947  1 -179.9806146  1    22    21    23
  H     1.08638752  1  120.3079781  1 -179.9732663  1    23    22    24
  H     1.08807389  1  119.9841991  1 -179.9615026  1    24    23    22