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	hartrees
Energy at 0K	-225.913384
Energy at 298.15K
HF Energy	-225.664662
Nuclear repulsion energy	166.452412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3282	11.45
2	A₁	3106	3106	0.48
3	A₁	1700	1700	22.74
4	A₁	1438	1438	6.30
5	A₁	1407	1407	21.06
6	A₁	1265	1265	4.11
7	A₁	1046	1046	1.01
8	A₁	934	934	9.82
9	A₂	1156	1156	0.00
10	A₂	899	899	0.00
11	A₂	538	538	0.00
12	B₁	3152	3152	0.83
13	B₁	1020	1020	22.10
14	B₁	826	826	6.86
15	B₁	356	356	40.69
16	B₂	3268	3268	3.63
17	B₂	1768	1768	0.81
18	B₂	1402	1402	38.90
19	B₂	1259	1259	1.63
20	B₂	1091	1091	40.35
21	B₂	931	931	65.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.206
N2	0.000	0.997	0.283
N3	0.000	-0.997	0.283
C4	0.000	0.726	-0.950
C5	0.000	-0.726	-0.950
H6	-0.894	0.000	1.835
H7	0.894	0.000	1.835
H8	0.000	1.473	-1.732
H9	0.000	-1.473	-1.732

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3587	1.3587	2.2755	2.2755	1.0926	1.0926	3.2862	3.2862
N2	1.3587		1.9941	1.2628	2.1192	2.0496	2.0496	2.0701	3.1872
N3	1.3587	1.9941		2.1192	1.2628	2.0496	2.0496	3.1872	2.0701
C4	2.2755	1.2628	2.1192		1.4525	3.0139	3.0139	1.0805	2.3336
C5	2.2755	2.1192	1.2628	1.4525		3.0139	3.0139	2.3336	1.0805
H6	1.0926	2.0496	2.0496	3.0139	3.0139		1.7871	3.9607	3.9607
H7	1.0926	2.0496	2.0496	3.0139	3.0139	1.7871		3.9607	3.9607
H8	3.2862	2.0701	3.1872	1.0805	2.3336	3.9607	3.9607		2.9452
H9	3.2862	3.1872	2.0701	2.3336	1.0805	3.9607	3.9607	2.9452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.412	C1	N3	C5	120.412
N2	C1	N3	94.414	N2	C1	H6	113.014
N2	C1	H7	113.014	N2	C4	C5	102.381
N2	C4	H8	123.929	N3	C1	H6	113.014
N3	C1	H7	113.014	N3	C5	C4	102.381
N3	C5	H9	123.929	C4	C5	H9	133.690
C5	C4	H8	133.690	H6	C1	H7	109.732

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H4N2 (2H-Imidazole)

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)