Accuracy

1,1'-diphenyl-1,1'-bicyclohexyl    413 1,1'-Diphenyl-1,1'-bicyclohexyl

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    #  Species Formula
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26
   405 HexadecylcyclopentaneC21H42
   406 PentadecylcyclohexaneC21H42
   407 Tri-n-heptylboraneH45BC21
   408 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   409 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   411 n-HexadecylcyclohexaneC22H44
   412 p-QuaterphenylC24H18
   413 1,1'-Diphenyl-1,1'-bicyclohexyl C24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24
   416 TetraphenylmethaneC25H20
   417 9,9'-Bi-9H-fluoreneC26H18
   418 1,1,1,2-TetraphenylethaneC26H22
   419 1,1,2,2-TetraphenylethaneC26H22
   420 Pentacyclo hexacosa nonaneC26H26
   421 2,3-Dimethyl-2,3-bis(4-t-butylphenyl)butaneC26H38
   422 11-n-butyl docosaneC26H54
   423 5-n-butyl docosaneC26H54


ΔHf: 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