Third Year TS and Reactivity Lab: Hexadiene Conformers

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Appendix 1


Conformer Structure G (kJmol-1 PM6) Relative G (kJmol-1 PM6)
Anti 1
energy 3.10
gauche2
C2 -231.69167 0.62
gauche3
C1 -231.69266 0.00
gauche4
C2 -231.69153 0.71
gauche5
C1 -231.68962 1.91
gauche6
C1 -231.68916 2.20
anti1
C2 -231.69260 0.04
anti2
Ci -231.69254 0.08
anti3
C2h -231.68907 2.25
anti4
C1 -231.69097 1.06



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