PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

1,1'-diphenyl-1,1'-bicyclopentyl    410 1,1'-Diphenyl-1,1'-bicyclopentyl

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentyl C22H26
   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'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluoreneC26H18
   420 1,1,1,2-TetraphenylethaneC26H22


ΔHf: 26.6 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'-bicyclopentyl
 H=26.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53750751 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55400730 +1  107.9528821 +1    0.0000000 +0     2     1     0
  C     1.53642181 +1  107.0047802 +1  -14.9441787 +1     1     2     3
  C     1.55369662 +1  102.9574897 +1   25.6910722 +1     3     2     1
  C     1.51794733 +1  110.0551213 +1  143.1342543 +1     3     2     1
  C     1.56687403 +1  112.0400358 +1  -94.4958288 +1     3     2     1
  C     5.66441825 +1   19.0771621 +1  -66.9125451 +1     1     2     3
  C     1.39260435 +1  114.4411884 +1  141.7346550 +1     8     1     2
  C     1.39903187 +1  120.7955878 +1   34.2651636 +1     6     3     2
  C     1.39274312 +1  119.4577099 +1   -0.0350428 +1     9     8    10
  C     1.39935812 +1  120.7921387 +1 -145.8759223 +1     6     3     2
  C     1.55633941 +1  112.6865072 +1 -176.8803164 +1     7     3     2
  C     1.53884512 +1  104.8154332 +1  161.5053091 +1    13     7     3
  C     1.54261305 +1  105.6909288 +1  -27.6237448 +1    14    13     7
  C     1.55642413 +1  112.9906707 +1  -64.4526102 +1     7     3     2
  C     1.51919782 +1  110.5545140 +1   59.2609276 +1     7     3     2
  C     1.39956722 +1  120.9011225 +1  -88.7026252 +1    17     7     3
  C     1.39236841 +1  121.0763925 +1 -179.1631902 +1    18    17     7
  C     1.39963667 +1  121.0816228 +1   91.9416114 +1    17     7     3
  C     1.39249597 +1  121.0597660 +1  179.1775558 +1    20    17     7
  C     1.39226648 +1  120.2557470 +1   -0.0733829 +1    19    18    17
  H     1.10375838 +1  110.9685337 +1  105.7739353 +1     1     2     3
  H     1.10145788 +1  110.8743761 +1 -136.5396686 +1     1     2     3
  H     1.10586538 +1  109.0326641 +1  104.5006850 +1     2     1     4
  H     1.09894892 +1  111.5795518 +1 -138.1226729 +1     2     1     4
  H     1.10430733 +1  110.5323007 +1  118.4176637 +1     4     1     2
  H     1.10112355 +1  111.4854034 +1 -123.7942953 +1     4     1     2
  H     1.09898073 +1  111.8648185 +1 -150.1884602 +1     5     3     2
  H     1.10612328 +1  109.9556814 +1   91.5227250 +1     5     3     2
  H     1.08815142 +1  119.9966305 +1 -179.9871672 +1     8     9    11
  H     1.08662826 +1  120.2654876 +1  179.9658533 +1     9     8    10
  H     1.08917908 +1  120.3110130 +1   -0.0294447 +1    10     6     3
  H     1.08820865 +1  119.9660015 +1  179.9829945 +1    11     9     8
  H     1.08912086 +1  120.3007723 +1   -0.2168424 +1    12     6     3
  H     1.10442386 +1  110.4341831 +1   43.7541860 +1    13     7     3
  H     1.09653921 +1  113.5253210 +1  -75.2528215 +1    13     7     3
  H     1.10268556 +1  110.7300215 +1   92.2638171 +1    14    13     7
  H     1.09985447 +1  111.3682481 +1 -149.2204039 +1    14    13     7
  H     1.10218766 +1  110.7096895 +1  122.5461677 +1    15    14    13
  H     1.10020829 +1  111.5975174 +1 -118.8382491 +1    15    14    13
  H     1.10387874 +1  110.3397317 +1  -41.7831044 +1    16     7     3
  H     1.09682256 +1  113.4776016 +1   77.1667555 +1    16     7     3
  H     1.08901728 +1  120.2638667 +1    0.9573052 +1    18    17     7
  H     1.08790640 +1  119.7441995 +1  179.8741397 +1    19    18    17
  H     1.08898697 +1  120.3098454 +1   -0.9578832 +1    20    17     7
  H     1.08797909 +1  119.7397042 +1 -179.8936931 +1    21    20    17
  H     1.08638692 +1  120.3267068 +1  179.8859929 +1    22    19    18