Calculated Frequencies (cm⁻¹)

Vibrational Assignment

3707.1

(N?H)_pyrazole stretching vibration

3279.2

(C?H)_pyrazole stretching vibration

3230.3

(C?H)_benzene stretching vibration

3114.4

(C?H)_cyclohexane anti-symmetric stretching

1661.5

(C?C,C=C)_{cyclohexane, benzene} anti-symmetric stretching

1501.0

(C?H)_{cyclohexane, benzene} scissoring

1435.3

(C=C)_pyrazole stretching

1377.6

(NO₃⁻)_{uncoordinated} anti-symmetric stretching

1324.1

(C?H)_{cyclohexane, benzene} rocking

1095.7

(C=N, N?N)_pyrazole symmetric stretching

1062.3

(C?C)_cyclohexane twisting

1033.1

(C=C)_benzene twisting

979.3

Ag?N_pyrazole symmetric stretching

968.4

(C?H)_pyrazole rocking

959.8

(NO₃⁻)_{uncoordinated} symmetric stretching

802.9

(C?H)_benzene wagging

720.5

(NO₃⁻)_{uncoordinated} wagging

647.7

(NO₃⁻)_{uncoordinated} scissoring

574.1

(N?H)_pyrazole rocking

434.1

(C?C)_cyclohexane scissoring

183.4

Ag?N_pyrazole anti-symmetric stretching