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	hartrees
Energy at 0K	-225.106880
Energy at 298.15K	-225.112860
HF Energy	-224.598242
Nuclear repulsion energy	164.282827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3133	8.69
2	A₁	3076	2964	0.12
3	A₁	1681	1620	31.28
4	A₁	1500	1445	11.24
5	A₁	1385	1335	2.06
6	A₁	1252	1206	5.66
7	A₁	1031	993	9.58
8	A₁	932	898	8.41
9	A₂	1167	1124	0.00
10	A₂	814	785	0.00
11	A₂	541	521	0.00
12	B₁	3124	3010	0.43
13	B₁	1066	1027	17.79
14	B₁	790	761	14.53
15	B₁	370	356	48.01
16	B₂	3235	3117	8.57
17	B₂	1727	1664	0.29
18	B₂	1383	1333	12.51
19	B₂	1272	1226	6.25
20	B₂	1078	1039	34.60
21	B₂	964	929	67.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.234
N2	0.000	0.999	0.285
N3	0.000	-0.999	0.285
C4	0.000	0.742	-0.968
C5	0.000	-0.742	-0.968
H6	-0.901	0.000	1.862
H7	0.901	0.000	1.862
H8	0.000	1.495	-1.751
H9	0.000	-1.495	-1.751

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3782	1.3782	2.3243	2.3243	1.0981	1.0981	3.3386	3.3386
N2	1.3782		1.9975	1.2788	2.1450	2.0731	2.0731	2.0951	3.2189
N3	1.3782	1.9975		2.1450	1.2788	2.0731	2.0731	3.2189	2.0951
C4	2.3243	1.2788	2.1450		1.4847	3.0617	3.0617	1.0857	2.3702
C5	2.3243	2.1450	1.2788	1.4847		3.0617	3.0617	2.3702	1.0857
H6	1.0981	2.0731	2.0731	3.0617	3.0617		1.8018	4.0126	4.0126
H7	1.0981	2.0731	2.0731	3.0617	3.0617	1.8018		4.0126	4.0126
H8	3.3386	2.0951	3.2189	1.0857	2.3702	4.0126	4.0126		2.9897
H9	3.3386	3.2189	2.0951	2.3702	1.0857	4.0126	4.0126	2.9897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.994	C1	N3	C5	121.994
N2	C1	N3	92.883	N2	C1	H6	113.203
N2	C1	H7	113.203	N2	C4	C5	101.564
N2	C4	H8	124.563	N3	C1	H6	113.203
N3	C1	H7	113.203	N3	C5	C4	101.564
N3	C5	H9	124.563	C4	C5	H9	133.873
C5	C4	H8	133.873	H6	C1	H7	110.255

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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