PM7 Accuracy

9,9'-Dimethyl-9,9'-bifluorene    426 9,9'-Dimethyl-9,9'-bifluorene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   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
   426 9,9'-Dimethyl-9,9'-bifluorene C28H22
   427 1,1-Diphenyl-1,1-bicyclooctylC28H38
   428 11-Decyl heneicosaneC31H64
   429 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   430 DotriacontaneC32H66
   431 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   432 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decaneC38H62
   433 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62
   434 Nitrogen, cationN
   435 Nitrogen, atomN
   436 AmidogenH2N


DHf: 94.3 kcal/mol,     REF: 6-31G(d) basis set using the B3LYP Density Functional
  
 PM7
9,9'-Dimethyl-9,9'-bifluorene
 H=94.3 HR=B3LYP
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52558937  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52563281  1  101.2455780  1    0.0000000  0     2     1     0
  C     1.56929007  1  110.5493969  1 -117.3183522  1     2     1     3
  C     1.41893472  1  110.2597291  1   11.0185137  1     1     2     3
  C     1.37962840  1  129.5708523  1 -176.9628435  1     1     2     5
  C     1.41878469  1  110.2591037  1  -10.9652306  1     3     2     1
  C     1.37981066  1  129.5505137  1  177.0185515  1     3     2     7
  C     1.52565185  1  110.5837863  1  -70.5616493  1     4     2     1
  C     1.52540483  1  110.7332634  1 -111.4329060  1     4     2     9
  C     1.38222866  1  121.0064326  1  177.2041151  1     5     1     2
  C     1.40201460  1  118.7204555  1 -178.3855397  1     6     1     2
  C     1.38229932  1  121.0060217  1 -177.3794251  1     7     3     2
  C     1.40196392  1  118.7090841  1  178.5831476  1     8     3     2
  C     1.41906492  1  110.2413821  1 -106.4975205  1     9     4     2
  C     1.37955761  1  129.6058890  1 -177.1303032  1     9     4    15
  C     1.41870686  1  110.2618841  1  106.4646444  1    10     4     2
  C     1.37985051  1  129.5365625  1  176.8497468  1    10     4    17
  C     1.40066692  1  118.3703186  1    2.1196452  1    11     5     1
  C     1.40064680  1  118.3730064  1   -2.0870495  1    13     7     3
  C     1.38225080  1  121.0198854  1  177.2148052  1    15     9     4
  C     1.40199748  1  118.7205309  1 -178.2837003  1    16     9     4
  C     1.38230229  1  121.0027923  1 -177.4364042  1    17    10     4
  C     1.40194302  1  118.7084017  1  178.7306372  1    18    10     4
  C     1.40065613  1  118.3759467  1    2.0018065  1    21    15     9
  C     1.40061138  1  118.3644935  1   -2.1761863  1    23    17    10
  C     1.52477799  1  111.0506942  1 -124.9152394  1     2     1     4
  C     1.52499420  1  111.9745455  1 -124.2506123  1     4     2    10
  H     1.08881680  1  121.1031450  1 -179.1515942  1     6     1    12
  H     1.08892954  1  121.0805033  1  179.2895820  1     8     3    14
  H     1.08606773  1  120.9965106  1  179.0755126  1    11     5    19
  H     1.08805615  1  119.2374476  1  179.1132410  1    12     6     1
  H     1.08605207  1  120.9875029  1 -179.0732441  1    13     7    20
  H     1.08810317  1  119.2349531  1 -179.2514065  1    14     8     3
  H     1.08879540  1  121.1155426  1 -179.1513111  1    16     9    22
  H     1.08890061  1  121.0818633  1  179.2638409  1    18    10    24
  H     1.08767394  1  119.3904865  1 -179.5028996  1    19    11     5
  H     1.08769204  1  119.3835996  1  179.5974208  1    20    13     7
  H     1.08608631  1  120.9966132  1  179.0797916  1    21    15    25
  H     1.08804708  1  119.2333785  1  179.0682000  1    22    16     9
  H     1.08605661  1  120.9927605  1 -179.0339730  1    23    17    26
  H     1.08809653  1  119.2337337  1 -179.2648302  1    24    18    10
  H     1.08767382  1  119.3881126  1 -179.5357677  1    25    21    15
  H     1.08768577  1  119.3854769  1  179.6478233  1    26    23    17
  H     1.09760403  1  111.4909974  1 -176.5737930  1    27     2     1
  H     1.09740669  1  111.6034195  1 -119.7546835  1    27     2    45
  H     1.09725697  1  111.0999437  1 -120.1610246  1    27     2    46
  H     1.09711295  1  111.1405300  1  179.2754035  1    28     4     2
  H     1.09754307  1  111.5130748  1 -120.2283425  1    28     4    48
  H     1.09757746  1  111.5416088  1 -119.6819896  1    28     4    49