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

p-quaterphenyl    414 p-Quaterphenyl

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   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-Quaterphenyl C24H18
   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
   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


ΔHf: 91.4 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
p-Quaterphenyl
 H=91.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39256234 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39736220 +1  119.9141615 +1    0.0000000 +0     2     1     0
  C     1.39733034 +1  119.9457162 +1    0.0071633 +1     3     2     1
  C     1.39264558 +1  119.9297531 +1   -0.1899942 +1     4     3     2
  C     1.39401944 +1  120.1127303 +1    0.1598331 +1     1     2     3
  C     1.46772753 +1  120.0183530 +1  179.9932923 +1     3     2     1
  C     1.39743863 +1  119.9699238 +1   58.6539620 +1     7     3     2
  C     1.39114053 +1  120.0123414 +1  179.9933708 +1     8     7     3
  C     1.39737659 +1  120.0133167 +1   -0.0368971 +1     9     8     7
  C     1.39725929 +1  119.9746590 +1    0.0094517 +1    10     9     8
  C     1.39739032 +1  120.0554649 +1 -121.3775811 +1     7     3     2
  C     1.46747947 +1  119.9742562 +1 -179.8846098 +1    10     9     8
  C     1.39728283 +1  120.0106401 +1  -60.0702187 +1    13    10     9
  C     1.39126803 +1  120.0042666 +1 -179.8793647 +1    14    13    10
  C     1.39734071 +1  120.0056059 +1   -0.4672493 +1    15    14    13
  C     1.39730627 +1  119.9953157 +1    0.2688687 +1    16    15    14
  C     1.39731234 +1  120.0109904 +1  119.8648985 +1    13    10     9
  C     1.46785150 +1  120.0004333 +1 -179.5972016 +1    16    15    14
  C     1.39716607 +1  120.0417133 +1  -60.4458291 +1    19    16    15
  C     1.39265559 +1  119.8980012 +1 -179.9048279 +1    20    19    16
  C     1.39411622 +1  120.1051336 +1   -0.2563974 +1    21    20    19
  C     1.39405705 +1  120.0115440 +1    0.1171441 +1    22    21    20
  C     1.39721349 +1  119.9806219 +1  119.5003051 +1    19    16    15
  H     1.08817898 +1  119.8906109 +1 -179.8210685 +1     1     2     3
  H     1.08853331 +1  120.2348303 +1  179.8223941 +1     2     1     6
  H     1.08856760 +1  119.8352943 +1 -179.7907511 +1     4     3     2
  H     1.08817826 +1  119.9022703 +1 -179.7564129 +1     5     4     3
  H     1.08760700 +1  120.0050208 +1  179.8742597 +1     6     1     2
  H     1.08877368 +1  119.8332760 +1    0.3716308 +1     8     7     3
  H     1.08888174 +1  120.1350417 +1 -179.6529592 +1     9     8     7
  H     1.08893324 +1  119.8460996 +1  179.6622797 +1    11    10     9
  H     1.08883268 +1  119.8239964 +1    0.4070018 +1    12     7     3
  H     1.08880496 +1  119.8553683 +1   -0.2229044 +1    14    13    10
  H     1.08881116 +1  120.1638976 +1  179.9060903 +1    15    14    13
  H     1.08883621 +1  119.8224759 +1  179.8802450 +1    17    16    15
  H     1.08882896 +1  119.8433892 +1   -0.0403882 +1    18    13    10
  H     1.08854648 +1  119.8380320 +1   -0.2586949 +1    20    19    16
  H     1.08819590 +1  119.8967294 +1  179.7653071 +1    21    20    19
  H     1.08762178 +1  119.9962340 +1 -179.8715827 +1    22    21    20
  H     1.08820612 +1  120.0042311 +1 -179.8580837 +1    23    22    21
  H     1.08855341 +1  119.8427430 +1   -0.2144521 +1    24    19    16