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	hartrees
Energy at 0K	-225.082079
Energy at 298.15K	-225.088016
HF Energy	-224.623458
Nuclear repulsion energy	163.260880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3170	12.28
2	A₁	3096	2982	0.00
3	A₁	1616	1557	29.51
4	A₁	1469	1415	23.23
5	A₁	1352	1302	2.07
6	A₁	1232	1187	7.16
7	A₁	1017	979	5.49
8	A₁	908	875	11.29
9	A₂	1138	1096	0.00
10	A₂	825	794	0.00
11	A₂	544	524	0.00
12	B₁	3167	3050	0.01
13	B₁	1058	1019	15.62
14	B₁	782	753	20.91
15	B₁	362	349	48.32
16	B₂	3269	3149	4.06
17	B₂	1658	1597	0.04
18	B₂	1345	1295	13.14
19	B₂	1253	1206	7.22
20	B₂	1057	1018	38.45
21	B₂	950	915	74.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.244
N2	0.000	0.999	0.290
N3	0.000	-0.999	0.290
C4	0.000	0.749	-0.980
C5	0.000	-0.749	-0.980
H6	-0.903	0.000	1.871
H7	0.903	0.000	1.871
H8	0.000	1.514	-1.750
H9	0.000	-1.514	-1.750

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3817	1.3817	2.3469	2.3469	1.0991	1.0991	3.3551	3.3551
N2	1.3817		1.9979	1.2939	2.1606	2.0768	2.0768	2.1037	3.2363
N3	1.3817	1.9979		2.1606	1.2939	2.0768	2.0768	3.2363	2.1037
C4	2.3469	1.2939	2.1606		1.4986	3.0827	3.0827	1.0850	2.3904
C5	2.3469	2.1606	1.2939	1.4986		3.0827	3.0827	2.3904	1.0850
H6	1.0991	2.0768	2.0768	3.0827	3.0827		1.8062	4.0270	4.0270
H7	1.0991	2.0768	2.0768	3.0827	3.0827	1.8062		4.0270	4.0270
H8	3.3551	2.1037	3.2363	1.0850	2.3904	4.0270	4.0270		3.0271
H9	3.3551	3.2363	2.1037	2.3904	1.0850	4.0270	4.0270	3.0271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	122.573	C1	N3	C5	122.573
N2	C1	N3	92.605	N2	C1	H6	113.191
N2	C1	H7	113.191	N2	C4	C5	101.125
N2	C4	H8	124.099	N3	C1	H6	113.191
N3	C1	H7	113.191	N3	C5	C4	101.125
N3	C5	H9	124.099	C4	C5	H9	134.777
C5	C4	H8	134.777	H6	C1	H7	110.498

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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