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

9,9'-Bi-9H-fluorene    419 9,9'-Bi-9H-fluorene

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   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'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluorene C26H18
   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
   426 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   427 1,1-Diphenyl-1,1-bicyclooctylC28H38
   428 11-Decyl heneicosaneC31H64
   429 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50


ΔHf: 95.4 kcal/mol,     REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 PM7
9,9'-Bi-9H-fluorene
 H=95.4 HR=B3LYP
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51466880 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51623045 +1  102.4585700 +1    0.0000000 +0     2     1     0
  C     1.53754675 +1  111.3776428 +1 -120.3902028 +1     2     1     3
  C     1.41846788 +1  110.2082656 +1    1.1454223 +1     1     2     3
  C     1.37967070 +1  128.9458236 +1  179.6887594 +1     1     2     5
  C     1.41780221 +1  110.2034406 +1   -1.4244286 +1     3     2     1
  C     1.38003932 +1  129.0309636 +1 -179.1722820 +1     3     2     7
  C     1.51456211 +1  111.4758351 +1 -174.5999918 +1     4     2     1
  C     1.51612585 +1  112.4737650 +1 -114.4461676 +1     4     2     9
  C     1.38292763 +1  120.6408217 +1  179.2512340 +1     5     1     2
  C     1.40152965 +1  118.3240094 +1 -179.2549791 +1     6     1     2
  C     1.38296300 +1  120.6933987 +1 -178.1519935 +1     7     3     2
  C     1.40060835 +1  118.3944886 +1  177.9835282 +1     8     3     2
  C     1.41853870 +1  110.1860149 +1 -119.4075694 +1     9     4     2
  C     1.37974006 +1  128.9631912 +1  179.8407029 +1     9     4    15
  C     1.41775870 +1  110.2159570 +1  118.4280057 +1    10     4     2
  C     1.38000130 +1  129.0127509 +1 -179.3118880 +1    10     4    17
  C     1.40037035 +1  118.3790818 +1    0.1938205 +1    11     5     1
  C     1.39995792 +1  118.3645249 +1   -0.3417697 +1    13     7     3
  C     1.38287784 +1  120.6407637 +1  179.3675110 +1    15     9     4
  C     1.40153618 +1  118.3198379 +1 -179.4206422 +1    16     9     4
  C     1.38300601 +1  120.6896932 +1 -178.3158953 +1    17    10     4
  C     1.40058120 +1  118.3905274 +1  178.1785343 +1    18    10     4
  C     1.40037844 +1  118.3711805 +1    0.2270307 +1    21    15     9
  C     1.39995848 +1  118.3630696 +1   -0.3248186 +1    23    17    10
  H     1.11697867 +1  110.5010325 +1 -122.0532018 +1     2     1     4
  H     1.11719725 +1  109.5466842 +1 -123.0082903 +1     4     2    10
  H     1.08636117 +1  121.2848762 +1  179.9289763 +1     6     1    12
  H     1.08827108 +1  121.0367936 +1 -178.9290003 +1     8     3    14
  H     1.08642713 +1  120.9427368 +1 -179.9873715 +1    11     5    19
  H     1.08786824 +1  119.3119075 +1  179.9028310 +1    12     6     1
  H     1.08613671 +1  120.9434582 +1  179.8014131 +1    13     7    20
  H     1.08841668 +1  119.2168252 +1 -179.2775881 +1    14     8     3
  H     1.08631398 +1  121.2774261 +1  179.9833486 +1    16     9    22
  H     1.08828501 +1  121.0528270 +1 -178.9954314 +1    18    10    24
  H     1.08796637 +1  119.3288124 +1 -179.9516711 +1    19    11     5
  H     1.08800319 +1  119.3566373 +1  179.5940426 +1    20    13     7
  H     1.08644073 +1  120.9384806 +1  179.9784327 +1    21    15    25
  H     1.08790871 +1  119.3121780 +1  179.9557182 +1    22    16     9
  H     1.08613404 +1  120.9537833 +1  179.8195642 +1    23    17    26
  H     1.08839135 +1  119.2114769 +1 -179.3254009 +1    24    18    10
  H     1.08795702 +1  119.3239864 +1 -179.9792140 +1    25    21    15
  H     1.08800808 +1  119.3591359 +1  179.6279761 +1    26    23    17