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

1-bromo-dodecane   4124 1-Bromo-dodecane

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    #  Species Formula
  4114 BromoacetyleneHC2Br
  4115 Bromoacetylene (Geo)HC2Br
  4116 BromoethyleneC2H3Br
  4117 BromoethaneC2H5Br
  4118 3-BromopropeneC3H5Br
  4119 1-BromopropaneC3H7Br
  4120 2-BromopropaneC3H7Br
  4121 BromobenzeneC6H5Br
  4122 1-BromonaphthaleneC10H7Br
  4123 2-BromonaphthaleneC10H7Br
  4124 1-Bromo-dodecane C12H25Br
  4125 1-Bromo-hexadecaneC16H33Br
  4126 Cyanogen bromide (Geo)CNBr
  4127 Cyanogen bromideCNBr
  4128 3-Bromo-3-methyldiazirineC2H3N2Br
  4129 Li(I)N3Br (JEPROL) (Geo)H15LiC15N3Br
  4130 Li(I)N3Br (JEPROL)H15LiC15N3Br
  4131 Li(I)N3Br (GAJYEV) (Geo)H27LiC21N3Br
  4132 Li(I)N3Br (GAJYEV)H27LiC21N3Br
  4133 (MeCN)7.Br(-)C14H21N7Br
  4134 Bromine oxideOBr


ΔHf: -64.5 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
1-Bromo-dodecane
 H=-64.5 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52909442 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53449119 +1  110.8235060 +1    0.0000000 +0     2     1     0
  C     1.53399842 +1  110.8283304 +1 -179.8849606 +1     3     2     1
  C     1.53399095 +1  110.6404482 +1 -179.8793636 +1     4     3     2
  C     1.53412515 +1  110.7274933 +1 -179.8831668 +1     5     4     3
  C     1.53395580 +1  110.6359265 +1 -179.8792690 +1     6     5     4
  C     1.53399232 +1  110.7103881 +1 -179.8918127 +1     7     6     5
  C     1.53404938 +1  110.6271294 +1 -179.8899612 +1     8     7     6
  C     1.53382618 +1  110.6270636 +1 -179.9114654 +1     9     8     7
  C     1.53667166 +1  110.4469976 +1 -179.8842039 +1    10     9     8
  H     1.09559920 +1  111.4417739 +1  -59.9286872 +1     1     2     3
  H     1.09559145 +1  111.4329970 +1  120.1252716 +1     1     2    12
  H     1.09548994 +1  111.2250834 +1  119.9304670 +1     1     2    13
  H     1.10615799 +1  109.9748278 +1  121.9556988 +1     2     1     3
  H     1.10626314 +1  109.9512986 +1  116.1826310 +1     2     1    15
  H     1.10578919 +1  109.9406355 +1  121.9610007 +1     3     2     4
  H     1.10590561 +1  109.9346971 +1  116.1207779 +1     3     2    17
  H     1.10577094 +1  110.0327760 +1  121.8963030 +1     4     3     5
  H     1.10589410 +1  110.0082779 +1  116.2953056 +1     4     3    19
  H     1.10589338 +1  109.9978669 +1  121.8901985 +1     5     4     6
  H     1.10602267 +1  109.9893848 +1  116.2624499 +1     5     4    21
  H     1.10581620 +1  110.0187730 +1  121.9047721 +1     6     5     7
  H     1.10594308 +1  109.9930130 +1  116.2796500 +1     6     5    23
  H     1.10596494 +1  109.9966687 +1  121.8974927 +1     7     6     8
  H     1.10609730 +1  109.9880648 +1  116.2548068 +1     7     6    25
  H     1.10589993 +1  110.0017111 +1  121.9166140 +1     8     7     9
  H     1.10602291 +1  109.9771735 +1  116.2570226 +1     8     7    27
  H     1.10621593 +1  109.9705819 +1  121.9149956 +1     9     8    10
  H     1.10634721 +1  109.9600484 +1  116.2182908 +1     9     8    29
  H     1.10618963 +1  109.9248648 +1  121.8882645 +1    10     9    11
  H     1.10629899 +1  109.9032113 +1  116.3123520 +1    10     9    31
  C     1.51868392 +1  109.6204768 +1 -179.9720787 +1    11    10     9
 Br     1.96281153 +1  110.4949560 +1 -179.8826989 +1    33    11    10
  H     1.10862874 +1  109.7202428 +1 -122.2855611 +1    11    10    33
  H     1.10867654 +1  109.7187917 +1 -115.4945511 +1    11    10    35
  H     1.10072398 +1  112.3327444 +1 -118.4154962 +1    33    11    34
  H     1.10081901 +1  112.2968665 +1 -123.1647372 +1    33    11    37