Accuracy

p-terphenyl    378 p-Terphenyl

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    #  Species Formula
   368 [2.2]MetacyclophaneC16H16
   369 [2.2]ParacyclophaneC16H16
   370 1,2,3,6,7,8-HexahydropyreneC16H18
   371 Tricyclo[8.2.2.2]-hexadecaneC16H28
   372 1-HexadeceneC16H32
   373 DecylcyclohexaneC16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-DodecylcyclopentaneC17H34
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-Terphenyl C18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18


ΔHf: 66.6 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
p-Terphenyl
 H=66.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39263093 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39411522 +1  120.1077281 +1    0.0000000 +0     2     1     0
  C     1.39399023 +1  119.9908422 +1    0.1815161 +1     3     2     1
  C     1.39257276 +1  120.1103106 +1    0.0231240 +1     4     3     2
  C     1.39732626 +1  119.9230180 +1   -0.1985485 +1     1     2     3
  C     3.10531483 +1  157.3066991 +1   59.9829633 +1     1     2     3
  C     1.46779953 +1  120.0795300 +1  179.9724158 +1     6     1     2
  C     1.39727898 +1  120.0176750 +1  120.9216883 +1     8     6     1
  C     1.39132059 +1  120.0136931 +1 -179.9325199 +1     9     8     6
  C     1.39717473 +1  120.0016840 +1    0.0128106 +1    10     9     8
  C     1.39110419 +1  120.0133494 +1  179.9223421 +1     7     8     6
  C     8.50782992 +1  180.0000000 +0    0.0000000 +0     1     2     3
  C     1.39236794 +1    0.2124257 +1   40.8814459 +1    13     1     6
  C     1.46768733 +1  120.0442618 +1  179.7263656 +1    11    10     9
  C     1.39709911 +1  120.1589269 +1   58.9160959 +1    15    11    10
  C     1.39273270 +1  119.9187592 +1  179.8523650 +1    16    15    11
  C     1.39413311 +1  120.0932110 +1    0.2125637 +1    13    14    15
  H     1.08853411 +1  120.2453084 +1 -179.8711740 +1     1     2     3
  H     1.08817072 +1  119.8871007 +1  179.8178312 +1     2     1     6
  H     1.08759962 +1  119.9946090 +1 -179.8381224 +1     3     2     1
  H     1.08823132 +1  119.9945779 +1 -179.9501811 +1     4     3     2
  H     1.08853200 +1  120.2606156 +1 -179.8052717 +1     5     4     3
  H     1.08883800 +1  119.8446724 +1   -0.4189505 +1     7     8     6
  H     1.08887243 +1  119.8623017 +1   -0.3419830 +1     9     8     6
  H     1.08880747 +1  120.1627083 +1  179.6016943 +1    10     9     8
  H     1.08875377 +1  120.1677192 +1  179.7005503 +1    12     7     8
  H     1.08810938 +1  119.9070158 +1 -179.7680321 +1    13    14    15
  H     1.08861582 +1  120.2460710 +1  179.8355461 +1    14    13    18
  H     1.08856204 +1  119.8482627 +1    0.2776790 +1    16    15    11
  H     1.08818198 +1  119.9007637 +1 -179.7470700 +1    17    16    15
  H     1.08762789 +1  119.9892088 +1  179.8649565 +1    18    13    14