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

4,5-dipropyl-4,5-bis(4-t-butylphenyl) octane    431 4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octane

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    #  Species Formula
   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'-bifluoreneC28H22
   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) octane C34H54
   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
   437 AmmoniaH3N
   438 Ammonia (Geo)H3N
   439 Ammonium, cationH4N
   440 LiNH2H2LiN
   441 LiNH2 (Geo)H2LiN


ΔHf: -50.8 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
4,5-Dipropyl-4,5-bis(4-t-butylphenyl) octane
 H=-50.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39307006 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39776202 +1  121.3023206 +1    0.0000000 +0     1     2     0
  C     1.39360182 +1  120.7473550 +1   -0.4605143 +1     2     1     3
  C     1.39886080 +1  118.1994889 +1    0.0731905 +1     4     2     1
  C     1.51510598 +1  122.6128214 +1  178.6630432 +1     4     2     1
  C     1.40007508 +1  117.7287430 +1    0.4250680 +1     3     1     2
  C     1.51167909 +1  120.8286279 +1 -178.2131201 +1     3     1     2
  C     1.54031223 +1  108.1959147 +1 -112.8180391 +1     6     4     2
  C     1.53834919 +1  112.7154297 +1    7.2290125 +1     6     4     2
  C     1.54060613 +1  109.3218231 +1  127.3479937 +1     6     4     2
  C     1.55310116 +1  111.1321122 +1  -35.7787300 +1     8     3     1
  C     1.60971651 +1  108.2212441 +1   84.2149004 +1     8     3     1
  C     1.55270524 +1  112.1608569 +1 -156.5350268 +1     8     3     1
  C     3.89486656 +1  127.0589080 +1  121.5023678 +1     1     2     4
  C     1.53647876 +1  115.7033687 +1  -49.1684879 +1    12     8     3
  C     1.52417430 +1  107.0435214 +1  176.5156082 +1    13     8     3
  C     1.54731075 +1  111.0426218 +1  -63.5824061 +1    13     8     3
  C     1.55692071 +1  111.4180700 +1   57.3946636 +1    13     8     3
  C     5.50249755 +1  117.2596211 +1   25.7227548 +1     1     2     4
  C     1.53537297 +1  115.9201543 +1   53.5801157 +1    14     8     3
  C     1.39711469 +1  121.5060887 +1  -92.6281384 +1    17    13     8
  C     1.40025996 +1  120.9512968 +1   86.0376999 +1    17    13     8
  C     1.39397373 +1  121.3463962 +1  178.4459502 +1    22    17    13
  C     1.39301187 +1  120.8541400 +1   -0.0928023 +1    24    22    17
  C     1.38938905 +1  121.2224280 +1 -178.4078728 +1    23    17    13
  C     1.51480637 +1  122.7645932 +1 -179.7054836 +1    25    24    22
  C     5.06493406 +1  116.2474266 +1 -114.8902252 +1     1     2     4
  C     1.53602921 +1  113.4713722 +1 -173.6359089 +1    18    13     8
  C     1.53752005 +1  117.1150143 +1  -87.1724236 +1    19    13     8
  C     1.53035552 +1  110.3206655 +1  163.8568262 +1    30    19    13
  C     1.53827184 +1  112.8001977 +1    1.9450274 +1    27    25    24
  C     1.53997580 +1  108.7569113 +1 -118.2399414 +1    27    25    24
  C     1.54079211 +1  108.7867790 +1  121.8856678 +1    27    25    24
  H     1.08975644 +1  118.5671380 +1  179.2213149 +1     1     2     4
  H     1.08775143 +1  118.5056418 +1  179.5905075 +1     2     1     3
  H     1.08823288 +1  119.9409592 +1  179.8599629 +1     5     4     2
  H     1.08953752 +1  120.3158991 +1 -179.1315772 +1     7     3     1
  H     1.09411505 +1  111.2443768 +1  179.5726090 +1     9     6     4
  H     1.09574883 +1  110.9665361 +1   59.4885158 +1     9     6     4
  H     1.09479776 +1  111.6268324 +1  -60.1908676 +1     9     6     4
  H     1.09531400 +1  111.3534254 +1   58.0252985 +1    10     6     4
  H     1.09537872 +1  110.9870793 +1  177.4876641 +1    10     6     4
  H     1.09505422 +1  111.6241918 +1  -63.1232139 +1    10     6     4
  H     1.09575745 +1  110.8681192 +1  -54.4552306 +1    11     6     4
  H     1.09432841 +1  111.8990946 +1   65.6047393 +1    11     6     4
  H     1.09430120 +1  111.2822176 +1 -174.3938599 +1    11     6     4
  H     1.10832766 +1  108.8265373 +1 -171.5991545 +1    12     8     3
  H     1.10778573 +1  109.4712091 +1   73.7412358 +1    12     8     3
  H     1.10810678 +1  109.2379010 +1  -70.0404457 +1    14     8     3
  H     1.10947155 +1  108.8779267 +1  175.6529833 +1    14     8     3
  H     1.09517668 +1  111.3853421 +1   56.2976496 +1    15    16    12
  H     1.09518149 +1  111.0378922 +1  176.1307703 +1    15    16    12
  H     1.09526149 +1  111.5067874 +1  -64.2084251 +1    15    16    12
  H     1.10645727 +1  111.0410506 +1   31.9043830 +1    16    12     8
  H     1.10615383 +1  110.0940850 +1  -84.8572846 +1    16    12     8
  H     1.10723619 +1  110.6532552 +1  -51.0233911 +1    18    13     8
  H     1.10767190 +1  109.5844978 +1   63.9200990 +1    18    13     8
  H     1.10756939 +1  109.1552698 +1   36.4823518 +1    19    13     8
  H     1.10994581 +1  108.4284078 +1  151.4438286 +1    19    13     8
  H     1.09517231 +1  111.0575094 +1 -175.9820255 +1    20    21    14
  H     1.09545171 +1  111.3424238 +1  -56.1844193 +1    20    21    14
  H     1.09517753 +1  111.5792305 +1   64.2373859 +1    20    21    14
  H     1.10618169 +1  111.2158548 +1  -32.3124640 +1    21    14     8
  H     1.10685662 +1  109.8680826 +1   84.2977588 +1    21    14     8
  H     1.08910177 +1  120.6687540 +1   -0.9433587 +1    22    17    13
  H     1.08989680 +1  120.3266491 +1    1.7403208 +1    23    17    13
  H     1.08791770 +1  118.4273546 +1 -179.9242941 +1    24    22    17
  H     1.08843135 +1  119.1557257 +1  179.9950751 +1    26    23    17
  H     1.09558059 +1  111.4376620 +1   59.8479496 +1    28    29    18
  H     1.09511116 +1  111.1263430 +1  179.6886669 +1    28    29    18
  H     1.09510447 +1  111.4967149 +1  -60.4357325 +1    28    29    18
  H     1.10655505 +1  110.5951267 +1   59.7237263 +1    29    18    13
  H     1.10591239 +1  110.6172081 +1  -56.4122226 +1    29    18    13
  H     1.10629796 +1  111.3504393 +1   42.0789166 +1    30    19    13
  H     1.10610129 +1  110.3805922 +1  -74.7218378 +1    30    19    13
  H     1.09573317 +1  111.2685675 +1  -64.7753039 +1    31    30    19
  H     1.09462553 +1  111.5796573 +1   55.7689809 +1    31    30    19
  H     1.09518424 +1  110.9755584 +1  175.7925610 +1    31    30    19
  H     1.09519476 +1  111.5394048 +1  -62.0532925 +1    32    27    25
  H     1.09524614 +1  111.4743615 +1   59.1469330 +1    32    27    25
  H     1.09561919 +1  110.9455809 +1  178.5582965 +1    32    27    25
  H     1.09584662 +1  110.9194407 +1   58.5029194 +1    33    27    25
  H     1.09435066 +1  111.2183575 +1  178.4946583 +1    33    27    25
  H     1.09454789 +1  111.7888934 +1  -61.3155106 +1    33    27    25
  H     1.09433565 +1  111.2539368 +1 -175.8264680 +1    34    27    25
  H     1.09587933 +1  110.8951877 +1  -55.8577580 +1    34    27    25
  H     1.09437349 +1  111.8296232 +1   64.0909211 +1    34    27    25