PM7 Accuracy

11-n-butyl docosane    424 11-n-butyl docosane

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    #  Species Formula
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluoreneC26H18
   420 1,1,1,2-TetraphenylethaneC26H22
   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 docosane C26H54
   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) octaneC34H54
   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


DHf: -141.8 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
11-n-butyl docosane
 H=-141.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52875983  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53458063  1  111.0241712  1    0.0000000  0     2     1     0
  C     1.53395995  1  110.6431538  1  179.1850463  1     3     2     1
  C     1.53399521  1  110.8339891  1  179.5189172  1     4     3     2
  C     1.53410283  1  110.5646315  1  179.0786018  1     5     4     3
  C     1.53387886  1  110.8287319  1  179.5333606  1     6     5     4
  C     1.53407491  1  110.5704066  1  179.0927170  1     7     6     5
  C     1.53400248  1  110.7725860  1  179.7328228  1     8     7     6
  C     1.53422977  1  110.4737972  1  179.3561876  1     9     8     7
  C     1.54405464  1  111.6980480  1 -179.1476277  1    10     9     8
  C     1.54363730  1  109.0536826  1 -162.9152827  1    11    10     9
  C     1.53341943  1  112.1370522  1  152.4886083  1    12    11    10
  C     1.53433165  1  110.5852011  1  179.4101760  1    13    12    11
  C     1.53384288  1  110.6592425  1 -179.9211665  1    14    13    12
  C     1.53404353  1  110.6469310  1  179.5605649  1    15    14    13
  C     1.53385216  1  110.7473988  1  179.9341330  1    16    15    14
  C     1.53415152  1  110.6567751  1  179.7405743  1    17    16    15
  C     1.53393642  1  110.7301558  1  179.9623194  1    18    17    16
  C     1.53397465  1  110.6723803  1  179.8654441  1    19    18    17
  C     1.53458015  1  110.8012162  1  179.9973586  1    20    19    18
  C     1.52882505  1  110.8728922  1  179.9360449  1    21    20    19
  C     1.54220887  1  109.9908498  1   74.5094688  1    11    10     9
  C     1.53332441  1  112.2133590  1 -150.6552328  1    23    11    10
  C     1.53489333  1  110.6706172  1 -179.9651208  1    24    23    11
  C     1.52875073  1  110.8145128  1  179.6138243  1    25    24    23
  H     1.09538007  1  111.2786646  1 -179.9024448  1     1     2     3
  H     1.09567749  1  111.4189715  1   60.1419181  1     1     2     3
  H     1.09567096  1  111.4341504  1  -59.9270722  1     1     2     3
  H     1.10629473  1  109.9485004  1   58.1859290  1     2     1    27
  H     1.10640746  1  109.9039852  1  -58.0003208  1     2     1    27
  H     1.10553596  1  110.0900250  1   57.2671506  1     3     2     1
  H     1.10577755  1  109.8781509  1  -58.9868963  1     3     2     1
  H     1.10575403  1  110.0599493  1   57.6268319  1     4     3     2
  H     1.10606769  1  109.8930740  1  -58.6728118  1     4     3     2
  H     1.10568240  1  110.1360245  1   57.2355253  1     5     4     3
  H     1.10584677  1  109.9486772  1  -59.1578488  1     5     4     3
  H     1.10577775  1  110.0365896  1   57.6373080  1     6     5     4
  H     1.10606084  1  109.8899347  1  -58.6397376  1     6     5     4
  H     1.10576138  1  110.1290631  1   57.2545222  1     7     6     5
  H     1.10582310  1  109.9712667  1  -59.1423303  1     7     6     5
  H     1.10571418  1  110.0290902  1   57.8394698  1     8     7     6
  H     1.10598923  1  109.9133877  1  -58.4598857  1     8     7     6
  H     1.10599638  1  110.0370567  1   57.2068754  1     9     8     7
  H     1.10589126  1  110.0448278  1  -58.9882359  1     9     8     7
  H     1.10666390  1  109.0691774  1   59.2034849  1    10     9     8
  H     1.10489921  1  110.3520041  1  -56.5842362  1    10     9     8
  H     1.11512251  1  108.2380170  1  -44.6709136  1    11    10     9
  H     1.10693298  1  110.0201541  1   31.0548650  1    12    11    10
  H     1.10532801  1  110.0219782  1  -84.6804448  1    12    11    10
  H     1.10720244  1  110.1695401  1   57.8298817  1    13    12    11
  H     1.10557384  1  110.0933116  1  -58.7559281  1    13    12    11
  H     1.10559137  1  110.0604188  1   58.1967723  1    14    13    12
  H     1.10592483  1  109.9301568  1  -58.1748046  1    14    13    12
  H     1.10601485  1  110.0518914  1   57.7477526  1    15    14    13
  H     1.10572334  1  110.0434823  1  -58.6523196  1    15    14    13
  H     1.10579717  1  110.0169928  1   58.0821059  1    16    15    14
  H     1.10591367  1  109.9802460  1  -58.2359389  1    16    15    14
  H     1.10589795  1  110.0399905  1   57.9171244  1    17    16    15
  H     1.10574578  1  110.0411003  1  -58.4653768  1    17    16    15
  H     1.10584595  1  110.0117609  1   58.1288392  1    18    17    16
  H     1.10589159  1  109.9942114  1  -58.2126499  1    18    17    16
  H     1.10585791  1  110.0272183  1   58.0362801  1    19    18    17
  H     1.10576427  1  110.0267742  1  -58.3291376  1    19    18    17
  H     1.10572977  1  110.0561969  1   58.1613197  1    20    19    18
  H     1.10576392  1  110.0514679  1  -58.1677510  1    20    19    18
  H     1.10628500  1  109.9869348  1   58.0688614  1    21    20    19
  H     1.10622332  1  109.9912220  1  -58.2086157  1    21    20    19
  H     1.09541155  1  111.2851635  1  179.9898866  1    22    21    20
  H     1.09565944  1  111.4126645  1   60.0292256  1    22    21    20
  H     1.09569119  1  111.4181888  1  -60.0397270  1    22    21    20
  H     1.10527896  1  110.0959976  1   86.3327224  1    23    11    10
  H     1.10741728  1  109.9225061  1  -29.1931328  1    23    11    10
  H     1.10548950  1  110.1543087  1   58.2156204  1    24    23    11
  H     1.10690274  1  110.2354494  1  -58.3539173  1    24    23    11
  H     1.10630542  1  109.9227478  1   57.8285471  1    25    24    23
  H     1.10600406  1  110.0287089  1  -58.4756241  1    25    24    23
  H     1.09530460  1  111.2773771  1 -179.9208437  1    26    25    24
  H     1.09557086  1  111.4323200  1   60.1327657  1    26    25    24
  H     1.09573011  1  111.4290487  1  -59.9762203  1    26    25    24