Accuracy

5,6-dibutyl-5,6-bis(4-tert-butylphenyl)decane    431 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane

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    #  Species Formula
   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) decaneC38H62
   431 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane C38H62
   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
   441 BH3-NH3H6BN


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-tert-butylphenyl)decane
 H=-58.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52915044 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53600705 +1  110.5276793 +1    0.0000000 +0     2     1     0
  C     1.53629332 +1  110.7095945 +1 -179.8283875 +1     3     2     1
  C     1.55468185 +1  115.8922588 +1 -151.1705866 +1     4     3     2
  C     1.62360038 +1  110.1748954 +1  165.3514274 +1     5     4     3
  C     1.56530649 +1  109.4681015 +1  179.7892793 +1     6     5     4
  C     1.54157584 +1  120.6923113 +1  112.2811152 +1     7     6     5
  C     1.53075162 +1  114.4612397 +1  -86.2443956 +1     8     7     6
  C     1.52929707 +1  110.8690133 +1 -177.5877383 +1     9     8     7
  C     1.54780769 +1  110.5991666 +1  -58.8215286 +1     6     5     4
  C     1.55395948 +1  107.1600849 +1  -77.6563530 +1     5     4     3
  C     1.53509675 +1  115.5657829 +1   65.7920619 +1    12     5     4
  C     1.53540972 +1  110.7584345 +1  153.8389733 +1    13    12     5
  C     1.52888695 +1  110.5901476 +1  179.3939497 +1    14    13    12
  C     1.54369798 +1  118.7306715 +1  155.0882739 +1    11     6     5
  C     1.53268544 +1  117.0976723 +1   39.6252406 +1    16    11     6
  C     1.53043852 +1  110.5998010 +1 -167.8913971 +1    17    16    11
  C     1.52690912 +1  105.4735272 +1   60.3861863 +1     6     5     4
  C     1.39855600 +1  120.7674082 +1  -82.9416653 +1    19     6     5
  C     1.39283773 +1  121.7052950 +1  179.7684723 +1    20    19     6
  C     1.39317569 +1  120.7934114 +1   -0.3468209 +1    21    20    19
  C     1.39828679 +1  117.9440088 +1   -0.8236222 +1    22    21    20
  C     1.40031627 +1  122.1527180 +1   95.0676144 +1    19     6     5
  C     1.51189154 +1  110.4619843 +1   45.0605109 +1     5     4     3
  C     1.39927977 +1  120.5616868 +1   39.5434776 +1    25     5     4
  C     1.39249819 +1  121.3922268 +1 -179.0715245 +1    26    25     5
  C     1.39437367 +1  120.7610183 +1    0.5042919 +1    27    26    25
  C     1.39816743 +1  118.1293095 +1   -0.2330647 +1    28    27    26
  C     1.39906612 +1  121.8589604 +1 -139.4250490 +1    25     5     4
  C     1.51451867 +1  122.7623001 +1  179.3431509 +1    22    21    20
  C     1.54043208 +1  108.8519542 +1  120.1859737 +1    31    22    21
  C     1.54049727 +1  108.7013755 +1 -119.9428043 +1    31    22    21
  C     1.53826175 +1  112.8058269 +1    0.0738764 +1    31    22    21
  C     1.51485545 +1  122.6724948 +1 -179.9413646 +1    28    27    26
  C     1.54057610 +1  108.7666899 +1  119.5773791 +1    35    28    27
  C     1.54038535 +1  108.8048353 +1 -120.5747901 +1    35    28    27
  C     1.53813424 +1  112.8082320 +1   -0.4376700 +1    35    28    27
  H     1.09455488 +1  111.3792858 +1 -179.5453809 +1     1     2     3
  H     1.09538459 +1  111.4573172 +1   60.3972278 +1     1     2     3
  H     1.09611490 +1  111.3166047 +1  -59.5909895 +1     1     2     3
  H     1.10547206 +1  110.1034595 +1   58.6687258 +1     2     1    39
  H     1.10599676 +1  109.7466552 +1  -57.8780453 +1     2     1    39
  H     1.10643524 +1  109.5659661 +1   56.8469079 +1     3     2     1
  H     1.10551827 +1  109.3306590 +1  -58.2291578 +1     3     2     1
  H     1.10871557 +1  108.2719672 +1   86.2640621 +1     4     3     2
  H     1.10839830 +1  108.5942415 +1  -27.7094416 +1     4     3     2
  H     1.10751277 +1  109.1679125 +1  -12.6084391 +1     7     6     5
  H     1.11015383 +1  108.5437649 +1 -126.7431408 +1     7     6     5
  H     1.10567828 +1  111.3140694 +1   38.2879578 +1     8     7     6
  H     1.10944413 +1  107.8205632 +1  152.8044301 +1     8     7     6
  H     1.10775862 +1  110.2637470 +1   60.9612949 +1     9     8     7
  H     1.10579971 +1  110.3385495 +1  -55.3565431 +1     9     8     7
  H     1.09536500 +1  110.9888505 +1 -179.4115117 +1    10     9     8
  H     1.09473185 +1  111.5723918 +1   60.6377495 +1    10     9     8
  H     1.09529719 +1  111.3462442 +1  -59.7563239 +1    10     9     8
  H     1.11109816 +1  109.3650622 +1   32.9908546 +1    11     6     5
  H     1.10881614 +1  108.5717543 +1  -79.7083300 +1    11     6     5
  H     1.10977420 +1  108.9326579 +1  -55.6789880 +1    12     5     4
  H     1.10670055 +1  109.5351601 +1 -170.0324788 +1    12     5     4
  H     1.10585347 +1  111.2849736 +1   31.3422540 +1    13    12     5
  H     1.10655036 +1  109.8292901 +1  -85.1393393 +1    13    12     5
  H     1.10599850 +1  109.9517518 +1   57.6215842 +1    14    13    12
  H     1.10605642 +1  110.2384543 +1  -58.9662332 +1    14    13    12
  H     1.09465399 +1  111.3737557 +1  179.7961374 +1    15    14    13
  H     1.09606825 +1  111.3693352 +1   59.7990196 +1    15    14    13
  H     1.09547190 +1  111.4536089 +1  -60.2025554 +1    15    14    13
  H     1.10850752 +1  109.1883300 +1  -83.8474092 +1    16    11     6
  H     1.10876649 +1  107.7873979 +1  162.5839012 +1    16    11     6
  H     1.10586526 +1  110.5723789 +1   70.3727965 +1    17    16    11
  H     1.10725864 +1  110.4403497 +1  -46.6455084 +1    17    16    11
  H     1.09507960 +1  111.0687400 +1 -176.6922807 +1    18    17    16
  H     1.09602801 +1  111.2141568 +1   63.8471919 +1    18    17    16
  H     1.09447461 +1  111.6229857 +1  -56.5091559 +1    18    17    16
  H     1.08993937 +1  120.3003686 +1   -0.3327644 +1    20    19     6
  H     1.08787303 +1  118.4857653 +1  179.6249139 +1    21    20    19
  H     1.08866072 +1  119.8508537 +1 -179.2683414 +1    23    22    21
  H     1.09040066 +1  120.5278995 +1   -0.4165922 +1    24    19     6
  H     1.08920663 +1  120.1642538 +1    0.0702143 +1    26    25     5
  H     1.08775981 +1  118.4974675 +1 -179.7732292 +1    27    26    25
  H     1.08849649 +1  119.9273552 +1  179.8002797 +1    29    28    27
  H     1.08982803 +1  120.5287658 +1   -1.6018006 +1    30    25     5
  H     1.09428997 +1  111.2493267 +1 -177.7643752 +1    32    31    22
  H     1.09439244 +1  111.8183099 +1   62.1203168 +1    32    31    22
  H     1.09573981 +1  110.9171741 +1  -57.7788390 +1    32    31    22
  H     1.09428100 +1  111.2355152 +1  178.0532157 +1    33    31    22
  H     1.09588400 +1  110.9073886 +1   58.0518856 +1    33    31    22
  H     1.09443078 +1  111.8042537 +1  -61.7870155 +1    33    31    22
  H     1.09548594 +1  110.9359522 +1  179.9817794 +1    34    31    22
  H     1.09516542 +1  111.5084522 +1   60.5985065 +1    34    31    22
  H     1.09524850 +1  111.5291065 +1  -60.6136861 +1    34    31    22
  H     1.09418589 +1  111.2433774 +1 -178.8666387 +1    36    35    28
  H     1.09445252 +1  111.8185113 +1   60.9438962 +1    36    35    28
  H     1.09587580 +1  110.8789030 +1  -58.8807369 +1    36    35    28
  H     1.09569634 +1  110.9172433 +1   57.6013786 +1    37    35    28
  H     1.09451843 +1  111.8012385 +1  -62.2929699 +1    37    35    28
  H     1.09411983 +1  111.2690045 +1  177.5719284 +1    37    35    28
  H     1.09537960 +1  110.9465514 +1 -179.9653102 +1    38    35    28
  H     1.09528794 +1  111.5203126 +1   60.6172062 +1    38    35    28
  H     1.09514145 +1  111.5115207 +1  -60.5681186 +1    38    35    28