NH₂

Asymmetrical stretching

NH₂

symmetrical stretching

NH₂

Bending

In plane

NH₂

Bending

out plane

C-H

Stretching

N2=C1

N1-C2

C1-S2

C2-S1

Zn-N2

C3-N3

Experimental Values

3449

3347

1581

2109

548

1622

B3LYP unscaled frequencies

3686

3587

1669

465

3214 - 3174

2112

2130

859

886

668

1623

B3LYP scaled frequencies

3483

3386

1575

439

3034 - 2997

2126

2154

811

836

630

1634

wB97XD unscaled frequencies

3731

3624

1689

490

3233 - 3197

2140

2155

860

884

673

1660

wB97XD scaled frequencies

3571

3468

1616

469

3094 - 3060

2048

2062

823

846

644

1589