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	hartrees
Energy at 0K	-225.471400
Energy at 298.15K	-225.477405
HF Energy	-224.730247
Nuclear repulsion energy	166.590756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3329	3111	10.41
2	A₁	3158	2951	0.18
3	A₁	1704	1592	19.78
4	A₁	1469	1372	7.82
5	A₁	1427	1334	10.52
6	A₁	1287	1203	4.76
7	A₁	1069	999	1.37
8	A₁	947	885	11.99
9	A₂	1166	1089	0.00
10	A₂	890	831	0.00
11	A₂	540	504	0.00
12	B₁	3218	3007	0.11
13	B₁	1030	962	19.95
14	B₁	827	773	4.59
15	B₁	354	331	39.84
16	B₂	3315	3097	6.83
17	B₂	1771	1655	0.18
18	B₂	1423	1330	31.32
19	B₂	1273	1189	0.53
20	B₂	1105	1033	31.44
21	B₂	943	881	67.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.205
N2	0.000	0.997	0.284
N3	0.000	-0.997	0.284
C4	0.000	0.724	-0.951
C5	0.000	-0.724	-0.951
H6	-0.893	0.000	1.828
H7	0.893	0.000	1.828
H8	0.000	1.469	-1.730
H9	0.000	-1.469	-1.730

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3569	1.3569	2.2739	2.2739	1.0890	1.0890	3.2818	3.2818
N2	1.3569		1.9937	1.2647	2.1181	2.0432	2.0432	2.0686	3.1839
N3	1.3569	1.9937		2.1181	1.2647	2.0432	2.0432	3.1839	2.0686
C4	2.2739	1.2647	2.1181		1.4479	3.0072	3.0072	1.0780	2.3273
C5	2.2739	2.1181	1.2647	1.4479		3.0072	3.0072	2.3273	1.0780
H6	1.0890	2.0432	2.0432	3.0072	3.0072		1.7861	3.9515	3.9515
H7	1.0890	2.0432	2.0432	3.0072	3.0072	1.7861		3.9515	3.9515
H8	3.2818	2.0686	3.1839	1.0780	2.3273	3.9515	3.9515		2.9381
H9	3.2818	3.1839	2.0686	2.3273	1.0780	3.9515	3.9515	2.9381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.264	C1	N3	C5	120.264
N2	C1	N3	94.551	N2	C1	H6	112.847
N2	C1	H7	112.847	N2	C4	C5	102.461
N2	C4	H8	123.816	N3	C1	H6	112.847
N3	C1	H7	112.847	N3	C5	C4	102.461
N3	C5	H9	123.816	C4	C5	H9	133.723
C5	C4	H8	133.723	H6	C1	H7	110.182

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

using model chemistry: MP2=FULL/6-31G**

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: MP2=FULL/6-31G**

States and conformations

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