Accuracy

tetraphenylmethane    416 Tetraphenylmethane

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

   

    #  Species Formula
   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'-bicyclohexylC24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24
   416 Tetraphenylmethane C25H20
   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
   424 9,9'-Dimethyl-9,9'-bifluoreneC28H22
   425 1,1-Diphenyl-1,1-bicyclooctylC28H38
   426 11-Decyl heneicosaneC31H64


ΔHf: 93.9 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
Tetraphenylmethane
 H=93.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52234715 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52239946 +1  101.2711336 +1    0.0000000 +0     1     2     0
  C     1.52244381 +1  113.7154958 +1  122.3471409 +1     1     2     3
  C     1.52233471 +1  113.7396455 +1 -122.3972304 +1     1     2     3
  C     1.39711197 +1  120.2402370 +1   87.2734016 +1     2     1     3
  C     1.39239785 +1  120.2966909 +1 -176.7926704 +1     6     2     1
  C     1.39341306 +1  120.1431755 +1    0.7410194 +1     7     6     2
  C     1.39321025 +1  119.7618195 +1    0.5949959 +1     8     7     6
  C     1.39703275 +1  120.2300109 +1  -87.4194031 +1     2     1     3
  C     1.39712842 +1  120.2152460 +1   87.1605228 +1     3     1     2
  C     1.39237450 +1  120.2996359 +1 -176.8382583 +1    11     3     1
  C     1.39343959 +1  120.1504914 +1    0.7418360 +1    12    11     3
  C     1.39324078 +1  119.7469734 +1    0.6297930 +1    13    12    11
  C     1.39698387 +1  120.2630851 +1  -87.5313111 +1     3     1     2
  C     1.39708271 +1  120.2450882 +1 -150.0909074 +1     4     1     2
  C     1.39238191 +1  120.3048453 +1 -176.8211650 +1    16     4     1
  C     1.39333500 +1  120.1506351 +1    0.7835100 +1    17    16     4
  C     1.39327345 +1  119.7485737 +1    0.6041393 +1    18    17    16
  C     1.39708418 +1  120.2320590 +1   35.2430292 +1     4     1     2
  C     1.39716408 +1  120.2174588 +1  150.3542260 +1     5     1     2
  C     1.39232620 +1  120.3035987 +1  176.7437267 +1    21     5     1
  C     1.39338376 +1  120.1450361 +1   -0.7515394 +1    22    21     5
  C     1.39319610 +1  119.7467960 +1   -0.6047344 +1    23    22    21
  C     1.39703991 +1  120.2464773 +1  -35.0069925 +1     5     1     2
  H     1.08990793 +1  120.1197223 +1    2.4996458 +1     6     2     1
  H     1.08790765 +1  119.8028143 +1 -179.6473015 +1     7     6     2
  H     1.08686712 +1  120.1049645 +1 -179.9417802 +1     8     7     6
  H     1.08791948 +1  120.0774145 +1  178.9968783 +1     9     8     7
  H     1.08987859 +1  120.1428294 +1   -2.5148170 +1    10     2     1
  H     1.08990751 +1  120.1295052 +1    2.4614711 +1    11     3     1
  H     1.08789827 +1  119.7932449 +1 -179.6398576 +1    12    11     3
  H     1.08683158 +1  120.1111729 +1 -179.9034922 +1    13    12    11
  H     1.08793935 +1  120.0680337 +1  178.9894708 +1    14    13    12
  H     1.08990726 +1  120.1361489 +1   -2.4535826 +1    15     3     1
  H     1.08995054 +1  120.1392585 +1    2.4601703 +1    16     4     1
  H     1.08789301 +1  119.7965626 +1 -179.6259349 +1    17    16     4
  H     1.08680620 +1  120.1145215 +1 -179.9371174 +1    18    17    16
  H     1.08789121 +1  120.0681708 +1  178.9588160 +1    19    18    17
  H     1.08992072 +1  120.1282508 +1   -2.5029339 +1    20     4     1
  H     1.08991699 +1  120.1298089 +1   -2.5003210 +1    21     5     1
  H     1.08791079 +1  119.7993517 +1  179.6625012 +1    22    21     5
  H     1.08683373 +1  120.1075513 +1  179.9533687 +1    23    22    21
  H     1.08792069 +1  120.0705409 +1 -178.9663376 +1    24    23    22
  H     1.08989044 +1  120.1370274 +1    2.5412468 +1    25     5     1