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	hartrees
Energy at 0K	-225.447682
Energy at 298.15K	-225.453675
HF Energy	-224.723390
Nuclear repulsion energy	166.254693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3114	11.84
2	A₁	3104	2956	0.88
3	A₁	1759	1675	25.16
4	A₁	1484	1413	5.69
5	A₁	1432	1364	9.69
6	A₁	1282	1221	4.05
7	A₁	1058	1008	1.60
8	A₁	951	905	14.55
9	A₂	1174	1118	0.00
10	A₂	880	838	0.00
11	A₂	537	512	0.00
12	B₁	3151	3001	0.61
13	B₁	1045	996	20.22
14	B₁	821	782	7.63
15	B₁	356	339	38.92
16	B₂	3255	3100	8.80
17	B₂	1814	1728	0.06
18	B₂	1442	1373	31.25
19	B₂	1271	1210	2.22
20	B₂	1104	1051	33.00
21	B₂	945	900	66.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.209
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.729	-0.950
C5	0.000	-0.729	-0.950
H6	-0.898	0.000	1.837
H7	0.898	0.000	1.837
H8	0.000	1.479	-1.735
H9	0.000	-1.479	-1.735

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3619	1.3619	2.2787	2.2787	1.0961	1.0961	3.2941	3.2941
N2	1.3619		1.9947	1.2605	2.1206	2.0546	2.0546	2.0728	3.1932
N3	1.3619	1.9947		2.1206	1.2605	2.0546	2.0546	3.1932	2.0728
C4	2.2787	1.2605	2.1206		1.4579	3.0177	3.0177	1.0853	2.3430
C5	2.2787	2.1206	1.2605	1.4579		3.0177	3.0177	2.3430	1.0853
H6	1.0961	2.0546	2.0546	3.0177	3.0177		1.7965	3.9688	3.9688
H7	1.0961	2.0546	2.0546	3.0177	3.0177	1.7965		3.9688	3.9688
H8	3.2941	2.0728	3.1932	1.0853	2.3430	3.9688	3.9688		2.9576
H9	3.2941	3.1932	2.0728	2.3430	1.0853	3.9688	3.9688	2.9576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.624	C1	N3	C5	120.624
N2	C1	N3	94.163	N2	C1	H6	112.971
N2	C1	H7	112.971	N2	C4	C5	102.295
N2	C4	H8	124.002	N3	C1	H6	112.971
N3	C1	H7	112.971	N3	C5	C4	102.295
N3	C5	H9	124.002	C4	C5	H9	133.704
C5	C4	H8	133.704	H6	C1	H7	110.064

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)