PM7 Accuracy

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


DHf: -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