Accuracy

1,1-diphenyl-1,1-bicyclooctyl    425 1,1-Diphenyl-1,1-bicyclooctyl

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    #  Species Formula
   415 Tri-n-octylboraneH51BC24
   416 TetraphenylmethaneC25H20
   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-bicyclooctyl C28H38
   426 11-Decyl heneicosaneC31H64
   427 2,4,5,7-Tetramethyl-4,5-bis(4-t-butylphenyl) octaneC32H50
   428 DotriacontaneC32H66
   429 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octaneC34H54
   430 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decaneC38H62
   431 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62
   432 Nitrogen, cationN
   433 Nitrogen, atomN
   434 AmidogenH2N
   435 AmmoniaH3N


ΔHf: 16.6 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.
  
 INT PM7
1,1-Diphenyl-1,1-bicyclooctyl
 H=16.6 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.39120002 +1   0.00000000 +1   0.00000000 +1
  C     2.09303118 +1   1.20342149 +1   0.00000000 +1
  C    -0.67714658 +1   1.21650675 +1  -0.00564717 +1
  C     0.03007945 +1   2.41590379 +1  -0.00662715 +1
  C     1.43175517 +1   2.43638712 +1  -0.00103137 +1
  C     2.21400060 +1   3.76759368 +1   0.02356219 +1
  C     2.93674564 +1   5.53924377 +1   1.75598247 +1
  C     4.28217982 +1   5.89786345 +1   1.90128562 +1
  C     4.65912608 +1   7.22491516 +1   2.09433232 +1
  C     1.97843619 +1   6.55895278 +1   1.83610901 +1
  C     2.51040148 +1   4.09590452 +1   1.56343502 +1
  C     2.35083801 +1   7.88642289 +1   2.02773576 +1
  C     3.69511866 +1   8.22678685 +1   2.15419880 +1
  C     1.30118348 +1   4.82835966 +1  -0.65818831 +1
  C     1.93197282 +1   6.10343468 +1  -1.23563142 +1
  C     2.42372398 +1   5.93760478 +1  -2.68452623 +1
  C     3.91977089 +1   6.24463659 +1  -2.83883170 +1
  C     4.81364858 +1   5.07510320 +1  -2.40113740 +1
  C     4.53544540 +1   4.64103247 +1  -0.95354047 +1
  C     3.46923389 +1   3.54032231 +1  -0.86277328 +1
  C     1.20106333 +1   3.84785841 +1   2.37282195 +1
  C     1.23905874 +1   4.28537819 +1   3.84444080 +1
  C     3.59921080 +1   3.11102267 +1   2.07090363 +1
  C     4.08325001 +1   3.32553397 +1   3.51496401 +1
  C     3.62588710 +1   2.23680915 +1   4.49661919 +1
  C     2.12503456 +1   1.92827401 +1   4.46648073 +1
  C     1.22282600 +1   3.11161641 +1   4.83820742 +1
  H    -0.55102292 +1  -0.93590831 +1   0.00330558 +1
  H     1.93556857 +1  -0.94207328 +1   0.00253042 +1
  H     3.18338160 +1   1.15837871 +1   0.00414174 +1
  H    -1.76513048 +1   1.23222005 +1  -0.00742502 +1
  H    -0.54328554 +1   3.34183126 +1   0.00239505 +1
  H     5.06268778 +1   5.13895005 +1   1.85669105 +1
  H     5.71251574 +1   7.47582494 +1   2.19955603 +1
  H     0.91894075 +1   6.32281000 +1   1.74913244 +1
  H     1.58694738 +1   8.65905790 +1   2.08067740 +1
  H     3.98767328 +1   9.26243082 +1   2.30178215 +1
  H     0.76041146 +1   4.32975328 +1  -1.49237717 +1
  H     0.51938921 +1   5.13599372 +1   0.06477738 +1
  H     1.17926281 +1   6.91511189 +1  -1.20095205 +1
  H     2.75125948 +1   6.46117982 +1  -0.58367504 +1
  H     1.84422577 +1   6.60812949 +1  -3.34629301 +1
  H     2.21780054 +1   4.91543369 +1  -3.05236947 +1
  H     4.17925891 +1   7.15241509 +1  -2.26220459 +1
  H     4.13816104 +1   6.49201052 +1  -3.89514870 +1
  H     5.87396171 +1   5.37752481 +1  -2.49661392 +1
  H     4.68593910 +1   4.22250910 +1  -3.09238029 +1
  H     4.24083428 +1   5.53105327 +1  -0.36892425 +1
  H     5.47409257 +1   4.28413712 +1  -0.49070019 +1
  H     3.99112595 +1   2.61413401 +1  -0.54767283 +1
  H     3.09042919 +1   3.31594888 +1  -1.88338344 +1
  H     0.94832786 +1   2.76892172 +1   2.32978720 +1
  H     0.35683375 +1   4.35587615 +1   1.87092588 +1
  H     0.36971807 +1   4.93779425 +1   4.05584650 +1
  H     2.12166997 +1   4.92491794 +1   4.03974579 +1
  H     4.47593342 +1   3.16096307 +1   1.39751695 +1
  H     3.21376276 +1   2.07745225 +1   1.97626526 +1
  H     5.19033869 +1   3.36161652 +1   3.52649315 +1
  H     3.76245153 +1   4.31638827 +1   3.89143925 +1
  H     3.91698794 +1   2.53838326 +1   5.52166803 +1
  H     4.18288225 +1   1.30243254 +1   4.28651532 +1
  H     1.92047207 +1   1.09357634 +1   5.16686692 +1
  H     1.84444308 +1   1.54047312 +1   3.46688944 +1
  H     1.50508186 +1   3.48761959 +1   5.84009674 +1
  H     0.18301036 +1   2.74057988 +1   4.93487050 +1