Accuracy
1-bromo-hexadecane
4123 1-Bromo-hexadecane
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Geometry predicted using PM7
ΔHf: -83.7 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-hexadecane
H=-83.7 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52913562 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53445315 +1 110.8103044 +1 0.0000000 +0 2 1 0
C 1.53403029 +1 110.8541604 +1 -179.9429543 +1 3 2 1
C 1.53395381 +1 110.6225860 +1 -179.9305762 +1 4 3 2
C 1.53414959 +1 110.7564783 +1 -179.9358950 +1 5 4 3
C 1.53393734 +1 110.6210351 +1 -179.9282988 +1 6 5 4
C 1.53406778 +1 110.7461702 +1 -179.9435221 +1 7 6 5
C 1.53395921 +1 110.6349352 +1 -179.9286066 +1 8 7 6
C 1.53405629 +1 110.7314955 +1 -179.9425478 +1 9 8 7
C 1.53394821 +1 110.6435420 +1 -179.9192798 +1 10 9 8
C 1.53397709 +1 110.7116634 +1 -179.9459432 +1 11 10 9
C 1.53402817 +1 110.6302254 +1 -179.9065305 +1 12 11 10
C 1.53381084 +1 110.6271011 +1 -179.9414715 +1 13 12 11
C 1.53665783 +1 110.4493112 +1 -179.9001243 +1 14 13 12
C 1.51866654 +1 109.6174107 +1 -179.9209346 +1 15 14 13
Br 1.96279316 +1 110.5009008 +1 -179.9407735 +1 16 15 14
H 1.09558837 +1 111.4405097 +1 -59.9230764 +1 1 2 3
H 1.09557718 +1 111.4312912 +1 120.1231975 +1 1 2 18
H 1.09546669 +1 111.2258182 +1 119.9326051 +1 1 2 19
H 1.10613603 +1 109.9776486 +1 121.9521187 +1 2 1 3
H 1.10625122 +1 109.9517565 +1 116.1833485 +1 2 1 21
H 1.10579371 +1 109.9395761 +1 121.9605602 +1 3 2 4
H 1.10590222 +1 109.9335194 +1 116.1176947 +1 3 2 23
H 1.10575231 +1 110.0372173 +1 121.8976137 +1 4 3 5
H 1.10586230 +1 110.0121876 +1 116.3053673 +1 4 3 25
H 1.10588232 +1 109.9982424 +1 121.8872468 +1 5 4 6
H 1.10600122 +1 109.9896996 +1 116.2604740 +1 5 4 27
H 1.10578708 +1 110.0310210 +1 121.9000353 +1 6 5 7
H 1.10589701 +1 110.0063239 +1 116.2989808 +1 6 5 29
H 1.10589145 +1 110.0086849 +1 121.8840648 +1 7 6 8
H 1.10601709 +1 110.0007424 +1 116.2713799 +1 7 6 31
H 1.10580375 +1 110.0319598 +1 121.9004231 +1 8 7 9
H 1.10591756 +1 110.0077364 +1 116.2915134 +1 8 7 33
H 1.10589906 +1 110.0075321 +1 121.8846936 +1 9 8 10
H 1.10602906 +1 109.9987820 +1 116.2724477 +1 9 8 35
H 1.10583377 +1 110.0214533 +1 121.9073424 +1 10 9 11
H 1.10594426 +1 109.9971476 +1 116.2768421 +1 10 9 37
H 1.10596979 +1 109.9951694 +1 121.8936697 +1 11 10 12
H 1.10608757 +1 109.9887709 +1 116.2553058 +1 11 10 39
H 1.10592008 +1 109.9988098 +1 121.9166694 +1 12 11 13
H 1.10601682 +1 109.9766408 +1 116.2566336 +1 12 11 41
H 1.10622447 +1 109.9687356 +1 121.9129168 +1 13 12 14
H 1.10634089 +1 109.9625180 +1 116.2171450 +1 13 12 43
H 1.10621026 +1 109.9233965 +1 121.8872840 +1 14 13 15
H 1.10628933 +1 109.9035379 +1 116.3137370 +1 14 13 45
H 1.10860691 +1 109.7163874 +1 122.2713668 +1 15 14 16
H 1.10869656 +1 109.7239421 +1 115.4963295 +1 15 14 47
H 1.10072395 +1 112.3462848 +1 118.4359541 +1 16 15 17
H 1.10081934 +1 112.2820302 +1 123.1623886 +1 16 15 49