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

5-n-butyl docosane    425 5-n-butyl docosane

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    #  Species Formula
   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 docosaneC26H54
   425 5-n-butyl docosane C26H54
   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
   435 Nitrogen, atomN


ΔHf: -140.4 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.
  
 INT PM7
5-n-butyl docosane
 H=-140.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52900969 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53497403 +1  110.8439066 +1    0.0000000 +0     2     1     0
  C     1.53327511 +1  110.6631336 +1 -178.8620115 +1     3     2     1
  C     1.54357018 +1  112.1530785 +1  178.0280361 +1     4     3     2
  C     1.54417686 +1  109.1185458 +1  152.5799686 +1     5     4     3
  C     1.53414841 +1  111.5922017 +1 -162.9954587 +1     6     5     4
  C     1.53413241 +1  110.5854310 +1 -177.1342000 +1     7     6     5
  C     1.53401891 +1  110.6718653 +1  179.7908775 +1     8     7     6
  C     1.53403947 +1  110.6578916 +1 -178.7003313 +1     9     8     7
  C     1.53404038 +1  110.7329943 +1  179.7302976 +1    10     9     8
  C     1.53408835 +1  110.6548168 +1 -179.0237163 +1    11    10     9
  C     1.53407856 +1  110.7225935 +1  179.7920504 +1    12    11    10
  C     1.53407586 +1  110.6563901 +1 -179.1687003 +1    13    12    11
  C     1.53409384 +1  110.7163999 +1  179.9081908 +1    14    13    12
  C     1.53406069 +1  110.6626152 +1 -179.2608977 +1    15    14    13
  C     1.53409263 +1  110.7093681 +1  179.9842393 +1    16    15    14
  C     1.53411992 +1  110.6642310 +1 -179.3912907 +1    17    16    15
  C     1.53411865 +1  110.7014497 +1 -179.9589665 +1    18    17    16
  C     1.53396012 +1  110.6793917 +1 -179.5478764 +1    19    18    17
  C     1.53476173 +1  110.7832360 +1 -179.9226834 +1    20    19    18
  C     1.52884902 +1  110.8719395 +1 -179.7129657 +1    21    20    19
  C     1.54232100 +1  111.4000040 +1  -85.7865121 +1     5     4     3
  C     1.53333422 +1  112.2282202 +1   88.8123910 +1    23     5     4
  C     1.53494526 +1  110.6799150 +1 -179.5807016 +1    24    23     5
  C     1.52885289 +1  110.7863060 +1  179.5404101 +1    25    24    23
  H     1.09522521 +1  111.2645365 +1 -179.8329572 +1     1     2     3
  H     1.09566251 +1  111.4215455 +1   60.2201813 +1     1     2     3
  H     1.09558292 +1  111.4213036 +1  -59.8845922 +1     1     2     3
  H     1.10613934 +1  109.8979546 +1 -121.7695520 +1     2     1     3
  H     1.10583923 +1  109.9998740 +1  121.9179958 +1     2     1     3
  H     1.10523339 +1  110.0622456 +1   59.1458920 +1     3     2     1
  H     1.10730798 +1  109.6631396 +1  -57.0748761 +1     3     2     1
  H     1.10494131 +1  110.1345930 +1   55.0697277 +1     4     3     2
  H     1.10722970 +1  108.8616747 +1  -60.0813530 +1     4     3     2
  H     1.11513894 +1  108.8022243 +1   34.5971842 +1     5     4     3
  H     1.10483128 +1  109.8083127 +1   74.2084135 +1     6     5     4
  H     1.10650580 +1  109.9677927 +1  -41.7846441 +1     6     5     4
  H     1.10584118 +1  109.9428668 +1   61.0728803 +1     7     6     5
  H     1.10622014 +1  110.3880244 +1  -55.2520594 +1     7     6     5
  H     1.10576112 +1  109.9399938 +1   58.0509204 +1     8     7     6
  H     1.10559720 +1  110.1086299 +1  -58.3241382 +1     8     7     6
  H     1.10567476 +1  110.0254920 +1   59.4677217 +1     9     8     7
  H     1.10591237 +1  110.0359652 +1  -56.9102153 +1     9     8     7
  H     1.10577652 +1  109.9539533 +1   57.9399735 +1    10     9     8
  H     1.10571062 +1  110.0657576 +1  -58.4022536 +1    10     9     8
  H     1.10567277 +1  110.0196072 +1   59.1399225 +1    11    10     9
  H     1.10584239 +1  110.0251382 +1  -57.2338905 +1    11    10     9
  H     1.10578352 +1  109.9558619 +1   57.9979445 +1    12    11    10
  H     1.10573718 +1  110.0520530 +1  -58.3499275 +1    12    11    10
  H     1.10567691 +1  110.0160040 +1   58.9947251 +1    13    12    11
  H     1.10582263 +1  110.0228432 +1  -57.3799349 +1    13    12    11
  H     1.10579042 +1  109.9665170 +1   58.1095021 +1    14    13    12
  H     1.10574300 +1  110.0490509 +1  -58.2410662 +1    14    13    12
  H     1.10569121 +1  110.0143870 +1   58.9035109 +1    15    14    13
  H     1.10581761 +1  110.0193703 +1  -57.4686746 +1    15    14    13
  H     1.10578875 +1  109.9762174 +1   58.1839001 +1    16    15    14
  H     1.10574207 +1  110.0449077 +1  -58.1699826 +1    16    15    14
  H     1.10570031 +1  110.0202389 +1   58.7797590 +1    17    16    15
  H     1.10580452 +1  110.0212549 +1  -57.6027039 +1    17    16    15
  H     1.10577390 +1  109.9960438 +1   58.2425780 +1    18    17    16
  H     1.10574167 +1  110.0478138 +1  -58.1266131 +1    18    17    16
  H     1.10570365 +1  110.0128720 +1   58.6184515 +1    19    18    17
  H     1.10577540 +1  110.0097480 +1  -57.7493459 +1    19    18    17
  H     1.10564570 +1  110.0493839 +1   58.2671936 +1    20    19    18
  H     1.10562077 +1  110.0826870 +1  -58.0873452 +1    20    19    18
  H     1.10617361 +1  109.9826854 +1   58.4126971 +1    21    20    19
  H     1.10620496 +1  109.9743632 +1  -57.8663335 +1    21    20    19
  H     1.09545040 +1  111.2677052 +1 -179.8327527 +1    22    21    20
  H     1.09565088 +1  111.4127943 +1   60.2096740 +1    22    21    20
  H     1.09565062 +1  111.4273493 +1  -59.8634535 +1    22    21    20
  H     1.10525191 +1  110.0969769 +1  -34.1755042 +1    23     5     4
  H     1.10763600 +1  109.9425513 +1 -149.7059844 +1    23     5     4
  H     1.10552862 +1  110.1276526 +1   58.5699464 +1    24    23     5
  H     1.10689133 +1  110.2344487 +1  -57.9832957 +1    24    23     5
  H     1.10610213 +1  109.9440660 +1   57.7704720 +1    25    24    23
  H     1.10596385 +1  110.0276535 +1  -58.5613807 +1    25    24    23
  H     1.09528944 +1  111.2726785 +1 -179.9221644 +1    26    25    24
  H     1.09559111 +1  111.4365372 +1   60.1209331 +1    26    25    24
  H     1.09567202 +1  111.4308085 +1  -59.9887366 +1    26    25    24