Accuracy

5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decane    430 5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decane

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    #  Species Formula
   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-bicyclooctylC28H38
   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) decane C38H62
   431 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decaneC38H62
   432 Nitrogen, cationN
   433 Nitrogen, atomN
   434 AmidogenH2N
   435 AmmoniaH3N
   436 Ammonia (Geo)H3N
   437 Ammonium, cationH4N
   438 LiNH2H2LiN
   439 LiNH2 (Geo)H2LiN
   440 BH2-NH2 (Geo)H4BN


ΔHf: -58.6 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
5,6-Dibutyl-5,6-bis(4-t-butylphenyl) decane
 H=-58.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39067835 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39707788 +1  121.2258287 +1    0.0000000 +0     1     2     0
  C     1.39766246 +1  121.0043330 +1    0.2246495 +1     2     1     3
  C     1.39432116 +1  118.1030297 +1   -1.3979565 +1     4     2     1
  C     1.51470457 +1  119.1344706 +1  179.7305134 +1     4     2     5
  C     1.39190603 +1  120.7112628 +1    0.9030771 +1     5     4     2
  C     1.51477617 +1  122.4993654 +1 -177.9418708 +1     3     1     2
  C     1.53809883 +1  112.8279272 +1  179.3043431 +1     6     4     2
  C     1.54019865 +1  108.9586501 +1 -120.2019831 +1     6     4     9
  C     1.54097588 +1  108.5450342 +1 -119.8095516 +1     6     4    10
  C     1.60990689 +1  107.4919338 +1  101.2081506 +1     8     3     1
  C     1.55772190 +1  109.6108659 +1  121.2545586 +1     8     3    12
  C     1.55128342 +1  114.1723728 +1  119.4665284 +1     8     3    13
  C     1.51597909 +1  108.8504682 +1 -166.7145308 +1    12     8     3
  C     1.56058169 +1  112.2947308 +1  127.2442040 +1    12     8    15
  C     1.56504314 +1  110.8950232 +1  114.2414739 +1    12     8    16
  C     1.53775796 +1  115.3596439 +1   45.5469483 +1    13     8     3
  C     1.40354593 +1  119.6834290 +1  -74.2874316 +1    15    12     8
  C     1.39341641 +1  123.0705102 +1 -179.9615501 +1    15    12    19
  C     1.38790103 +1  121.4086674 +1  178.4086092 +1    19    15    12
  C     1.39996053 +1  120.9179516 +1    0.3870316 +1    21    19    15
  C     1.39522940 +1  121.5177648 +1 -178.3895205 +1    20    15    12
  C     1.51453983 +1  119.2026115 +1 -179.3162574 +1    22    21    19
  C     1.53391301 +1  121.6106624 +1  -57.4134556 +1    16    12     8
  C     1.53666968 +1  110.6273692 +1  149.2268533 +1    25    16    12
  C     1.53542485 +1  113.9724178 +1  171.4983744 +1    17    12     8
  C     1.53819442 +1  112.8121530 +1  179.3822349 +1    24    22    21
  C     1.54033932 +1  108.8064477 +1  120.1392519 +1    24    22    28
  C     1.54067470 +1  108.7696716 +1  119.8539296 +1    24    22    29
  C     1.53613804 +1  110.8820169 +1 -147.2562055 +1    18    13     8
  C     1.52891450 +1  110.5294860 +1 -179.5603538 +1    31    18    13
  C     1.53318307 +1  116.4281052 +1  -56.0494896 +1    14     8     3
  C     1.52861291 +1  110.6968397 +1 -177.5885661 +1    26    25    16
  C     2.54934850 +1  100.9621508 +1  127.6167013 +1    33    14     8
  C     1.52923601 +1   33.8566208 +1  112.0491582 +1    35    33    14
  C     2.54014376 +1   98.3925380 +1  148.5631757 +1    27    17    12
  C     1.52926888 +1   34.1174547 +1  115.5493809 +1    37    27    17
  H     1.09037445 +1  118.3633441 +1 -179.6040182 +1     1     2     3
  H     1.08833806 +1  119.0005991 +1  179.6670838 +1     2     1     4
  H     1.08759020 +1  120.7321836 +1 -179.7505068 +1     5     4     7
  H     1.08948938 +1  118.5026705 +1 -178.4666696 +1     7     5     4
  H     1.09522608 +1  111.4781371 +1  -60.8941959 +1     9     6     4
  H     1.09517725 +1  111.5524983 +1  121.2020017 +1     9     6    43
  H     1.09538847 +1  110.9643938 +1  119.4145925 +1     9     6    44
  H     1.09574559 +1  110.9126532 +1   57.0101818 +1    10     6     4
  H     1.09455015 +1  111.8130773 +1 -119.9025654 +1    10     6    46
  H     1.09414576 +1  111.2775620 +1 -120.1193057 +1    10     6    47
  H     1.09462495 +1  111.7617553 +1   61.1488157 +1    11     6     4
  H     1.09567617 +1  110.9036804 +1 -119.8195457 +1    11     6    49
  H     1.09410168 +1  111.2500974 +1 -120.0107868 +1    11     6    50
  H     1.10730582 +1  108.8416523 +1  122.3395943 +1    13     8    18
  H     1.10726774 +1  109.8474523 +1  115.0142876 +1    13     8    52
  H     1.10921955 +1  109.5490190 +1  124.3525526 +1    14     8    33
  H     1.11070774 +1  108.7808426 +1  113.4505241 +1    14     8    54
  H     1.11329494 +1  106.5383485 +1  123.8584908 +1    16    12    25
  H     1.11051679 +1  107.4261335 +1  112.3189629 +1    16    12    56
  H     1.10725230 +1  109.0504506 +1  122.0582485 +1    17    12    27
  H     1.10625040 +1  110.6443367 +1  115.6798650 +1    17    12    58
  H     1.10633589 +1  111.2664892 +1  122.0704265 +1    18    13    31
  H     1.10559863 +1  110.2422442 +1  116.6781406 +1    18    13    60
  H     1.08923509 +1  120.1720470 +1  179.3404761 +1    19    15    21
  H     1.08835912 +1  120.8349082 +1 -179.9245319 +1    20    15    23
  H     1.08834547 +1  119.2296089 +1  179.9318184 +1    21    19    22
  H     1.08796853 +1  118.3488030 +1  179.5986629 +1    23    20    15
  H     1.10702510 +1  111.3433357 +1 -121.8792808 +1    25    16    26
  H     1.10731395 +1  110.6266240 +1 -117.0879827 +1    25    16    66
  H     1.10497467 +1  110.0891048 +1 -122.2200153 +1    26    25    34
  H     1.10885711 +1  109.9356611 +1 -116.3560633 +1    26    25    68
  H     1.10748668 +1  110.0798101 +1  154.2387611 +1    27    17    37
  H     1.10573700 +1  110.8450257 +1  116.3131691 +1    27    17    70
  H     1.09551287 +1  110.9514058 +1 -179.4859864 +1    28    24    22
  H     1.09529234 +1  111.4903963 +1  119.4040801 +1    28    24    72
  H     1.09518378 +1  111.5273947 +1  121.1540689 +1    28    24    73
  H     1.09434827 +1  111.2516528 +1 -177.6915732 +1    29    24    22
  H     1.09445486 +1  111.7847182 +1 -120.1424533 +1    29    24    75
  H     1.09574749 +1  110.9182720 +1 -119.8610599 +1    29    24    76
  H     1.09577871 +1  110.9024895 +1   58.0697444 +1    30    24    22
  H     1.09429006 +1  111.2297393 +1  119.9752989 +1    30    24    78
  H     1.09442870 +1  111.8230586 +1  120.1209704 +1    30    24    79
  H     1.10544629 +1  110.0693126 +1  121.8430166 +1    31    18    32
  H     1.10643619 +1  110.1031579 +1  116.7722402 +1    31    18    81
  H     1.09631620 +1  111.2857613 +1  -59.9466224 +1    32    31    18
  H     1.09528779 +1  111.5047746 +1  119.9835462 +1    32    31    83
  H     1.09468516 +1  111.3719482 +1  120.0938197 +1    32    31    84
  H     1.10746714 +1  109.5472631 +1  153.8715602 +1    33    14    35
  H     1.10488626 +1  111.3064321 +1  116.2873990 +1    33    14    86
  H     1.09507142 +1  111.5036068 +1  -59.5756450 +1    34    26    25
  H     1.09564137 +1  111.4280192 +1  120.2066685 +1    34    26    88
  H     1.09507008 +1  111.2095108 +1  119.8277283 +1    34    26    89
  H     1.09572114 +1   94.6347367 +1 -123.0179186 +1    35    33    36
  H     1.09515452 +1  144.8875589 +1  129.1735515 +1    35    33    91
  H     1.09589886 +1   90.9083567 +1  122.8877795 +1    35    33    92
  H     1.10651331 +1  110.0037276 +1 -122.8355652 +1    36    35    33
  H     1.10690061 +1  109.3891144 +1 -115.6693149 +1    36    35    94
  H     1.09460479 +1  145.4172495 +1    0.9518689 +1    37    27    38
  H     1.09548780 +1   92.0627287 +1  125.7623865 +1    37    27    96
  H     1.09616201 +1   92.7310286 +1  107.5067980 +1    37    27    97
  H     1.10588604 +1  110.0651607 +1 -122.8220843 +1    38    37    27
  H     1.10682595 +1  109.5937568 +1 -115.7193091 +1    38    37    99