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	hartrees
Energy at 0K	-225.523650
Energy at 298.15K	-225.529643
HF Energy	-224.768998
Nuclear repulsion energy	166.326663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3107	13.65
2	A₁	3093	2961	1.01
3	A₁	1738	1664	24.36
4	A₁	1465	1403	7.79
5	A₁	1415	1355	12.33
6	A₁	1269	1215	4.52
7	A₁	1043	999	1.57
8	A₁	938	898	16.24
9	A₂	1171	1121	0.00
10	A₂	882	845	0.00
11	A₂	536	513	0.00
12	B₁	3141	3008	0.34
13	B₁	1037	993	22.18
14	B₁	819	785	10.17
15	B₁	352	337	35.27
16	B₂	3231	3093	6.58
17	B₂	1792	1716	0.07
18	B₂	1429	1368	35.95
19	B₂	1255	1202	4.29
20	B₂	1095	1049	33.22
21	B₂	942	902	65.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.207
N2	0.000	0.997	0.281
N3	0.000	-0.997	0.281
C4	0.000	0.732	-0.948
C5	0.000	-0.732	-0.948
H6	-0.899	0.000	1.833
H7	0.899	0.000	1.833
H8	0.000	1.484	-1.730
H9	0.000	-1.484	-1.730

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3612	1.3612	2.2767	2.2767	1.0950	1.0950	3.2912	3.2912
N2	1.3612		1.9946	1.2577	2.1216	2.0521	2.0521	2.0693	3.1939
N3	1.3612	1.9946		2.1216	1.2577	2.0521	2.0521	3.1939	2.0693
C4	2.2767	1.2577	2.1216		1.4637	3.0132	3.0132	1.0848	2.3495
C5	2.2767	2.1216	1.2577	1.4637		3.0132	3.0132	2.3495	1.0848
H6	1.0950	2.0521	2.0521	3.0132	3.0132		1.7975	3.9632	3.9632
H7	1.0950	2.0521	2.0521	3.0132	3.0132	1.7975		3.9632	3.9632
H8	3.2912	2.0693	3.1939	1.0848	2.3495	3.9632	3.9632		2.9674
H9	3.2912	3.1939	2.0693	2.3495	1.0848	3.9632	3.9632	2.9674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.708	C1	N3	C5	120.708
N2	C1	N3	94.216	N2	C1	H6	112.881
N2	C1	H7	112.881	N2	C4	C5	102.184
N2	C4	H8	123.940	N3	C1	H6	112.881
N3	C1	H7	112.881	N3	C5	C4	102.184
N3	C5	H9	123.940	C4	C5	H9	133.875
C5	C4	H8	133.875	H6	C1	H7	110.322

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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