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	hartrees
Energy at 0K	-225.813806
Energy at 298.15K	-225.819836
HF Energy	-224.804461
Nuclear repulsion energy	166.960750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3258	3118
2	A₁	3103	2969
3	A₁	1700	1627
4	A₁	1437	1375
5	A₁	1408	1347
6	A₁	1262	1208
7	A₁	1041	996
8	A₁	935	895
9	A₂	1171	1121
10	A₂	928	888
11	A₂	541	518
12	B₁	3138	3003
13	B₁	1026	982
14	B₁	834	798
15	B₁	361	345
16	B₂	3241	3101
17	B₂	1760	1684
18	B₂	1408	1347
19	B₂	1261	1207
20	B₂	1090	1043
21	B₂	937	897

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.202
N2	0.000	0.997	0.281
N3	0.000	-0.997	0.281
C4	0.000	0.726	-0.945
C5	0.000	-0.726	-0.945
H6	-0.892	0.000	1.823
H7	0.892	0.000	1.823
H8	0.000	1.466	-1.725
H9	0.000	-1.466	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3570	1.3570	2.2666	2.2666	1.0870	1.0870	3.2733	3.2733
N2	1.3570		1.9937	1.2562	2.1146	2.0411	2.0411	2.0599	3.1765
N3	1.3570	1.9937		2.1146	1.2562	2.0411	2.0411	3.1765	2.0599
C4	2.2666	1.2562	2.1146		1.4514	2.9974	2.9974	1.0750	2.3264
C5	2.2666	2.1146	1.2562	1.4514		2.9974	2.9974	2.3264	1.0750
H6	1.0870	2.0411	2.0411	2.9974	2.9974		1.7847	3.9406	3.9406
H7	1.0870	2.0411	2.0411	2.9974	2.9974	1.7847		3.9406	3.9406
H8	3.2733	2.0599	3.1765	1.0750	2.3264	3.9406	3.9406		2.9327
H9	3.2733	3.1765	2.0599	2.3264	1.0750	3.9406	3.9406	2.9327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.261	C1	N3	C5	120.261
N2	C1	N3	94.546	N2	C1	H6	112.794
N2	C1	H7	112.794	N2	C4	C5	102.466
N2	C4	H8	123.983	N3	C1	H6	112.794
N3	C1	H7	112.794	N3	C5	C4	102.466
N3	C5	H9	123.983	C4	C5	H9	133.551
C5	C4	H8	133.551	H6	C1	H7	110.361

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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(T)=FULL/cc-pVTZ

States and conformations

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