No.(i)

Symbol^a

Definition^b

Scale factors

Stretching

1 - 8

ν(C-C)

R1, R2, R3, R4, R5, R6, R7, R8

0.94293

9 - 12

ν(C-N)

r9, r10, r11, r12

0.9461

13 - 17

ν(C-H)

P13, P14, P15, P16, P17

0.9225

18 - 19

ν(CH2ss)

(P18+P19)//2, (P20+P21)//2

0.9192

20 - 21

ν(CH2ass)

(P18-P19)//2, (P20-P21)//2

0.9192

22

ν(N-H)

Q22

0.91287

In-Plane bending

23

βR1tri

$\left({\beta }_{\text{23}}-{\beta }_{\text{24}}+{\beta }_{\text{25}}-{\beta }_{\text{26}}+{\beta }_{\text{27}}-{\beta }_{\text{28}}\right)/\sqrt{6}$

0.96557

24

βR1sym

$\left(-{\beta }_{23}-{\beta }_{24}+2{\beta }_{25}-{\beta }_{26}-{\beta }_{27}+2{\beta }_{28}\right)/\sqrt{12}$

0.96557

25

βR1asy

$\left({\beta }_{23}-{\beta }_{24}+{\beta }_{27}-{\beta }_{28}\right)/2$

0.96557

26

R2bend1

${\beta }_{29}+a\left({\beta }_{30}+{\beta }_{33}\right)+b\left({\beta }_{31}-{\beta }_{32}\right)$

0.956

27

R2bend2

$\left(a-b\right)\left({\beta }_{30}-{\beta }_{33}\right)+\left(1-a\right)\left({\beta }_{31}+{\beta }_{32}\right)$

0.956

28 - 33

bCH

$\begin{array}{l}\left({\theta }_{34}-{\theta }_{35}\right)/\sqrt{2},\left({\theta }_{36}-{\theta }_{37}\right)/\sqrt{2},\left({\theta }_{38}-{\theta }_{39}\right)/\sqrt{2}\\ \left({\theta }_{40}-{\theta }_{41}\right)/\sqrt{2},\left({\theta }_{42}-{\theta }_{43}\right)/\sqrt{2},\left({\theta }_{44}-{\theta }_{45}\right)/\sqrt{2}\end{array}$

0.9466

34

bNH

$\left({\theta }_{46}-{\theta }_{47}\right)/\sqrt{2}$ .

0.9466

35 - 36

bCC

$\left({\theta }_{48}-{\theta }_{49}\right)/\sqrt{2},\left({\theta }_{50}-{\theta }_{51}\right)/\sqrt{2}$

0.9265

37 - 38

bCH2sc

${\alpha }_{52}+{\alpha }_{53}+{\alpha }_{54}+{\alpha }_{55},{\alpha }_{56}+{\alpha }_{57}+{\alpha }_{58}+{\alpha }_{59}$

0.95715

39 - 40

bCH2Roc

${\alpha }_{52}+{\alpha }_{53}-{\alpha }_{54}-{\alpha }_{55},{\alpha }_{56}+{\alpha }_{57}-{\alpha }_{58}-{\alpha }_{59}$

0.95715

41 - 42

bCH2Wag

${\alpha }_{\text{52}}-{\alpha }_{\text{53}}-{\alpha }_{\text{54}}+{\alpha }_{\text{55}},{\alpha }_{\text{56}}-{\alpha }_{\text{57}}-{\alpha }_{\text{58}}+{\alpha }_{\text{59}}$

0.95715

Out of plane bending

43 - 47

ωC-H

ω₆₀, ω₆₁, ω₆₂, ω₆₃, ω₆₄

0.9654

48

ωN-H

ω₆₅

0.9654

49 - 50

ωC-C

ω₆₆, ω₆₇

0.98700

Torsion

51

τR1tri

$\left({\tau }_{68}-{\tau }_{69}+{\tau }_{70}-{\tau }_{71}+{\tau }_{72}-{\tau }_{73}\right)/\sqrt{6}$

0.98867

52

τR1asy

$\left({\tau }_{68}-{\tau }_{70}+{\tau }_{71}-{\tau }_{73}\right)/2$

0.98867

53

τR1sym

$\left(-{\tau }_{68}-2{\tau }_{69}-{\tau }_{70}-{\tau }_{71}+2{\tau }_{72}-{\tau }_{73}\right)/\sqrt{12}$

0.98867

54

R2torsion1

${\tau }_{76}+b\left({\tau }_{74}+{\tau }_{78}\right)+a\left({\tau }_{75}+{\tau }_{77}\right)$

0.9966

55

R2torsion2

$\left(a-b\right)\left({\tau }_{75}-{\tau }_{77}\right)+\left(1-a\right)\left({\tau }_{74}-{\tau }_{78}\right)$

0.9966

56

τCH₂

${\tau }_{79}+{\tau }_{80}$

0.980

57

τCCCC

${\tau }_{81}+{\tau }_{82}$

1.2000