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	hartrees
Energy at 0K	-225.672316
Energy at 298.15K	-225.678330
HF Energy	-224.803571
Nuclear repulsion energy	166.800009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3110	9.52
2	A₁	3114	2956	1.11
3	A₁	1660	1576	20.53
4	A₁	1419	1348	3.85
5	A₁	1392	1321	22.26
6	A₁	1262	1198	4.27
7	A₁	1047	994	0.81
8	A₁	929	882	12.70
9	A₂	1152	1094	0.00
10	A₂	923	877	0.00
11	A₂	545	517	0.00
12	B₁	3167	3007	1.97
13	B₁	1008	957	22.96
14	B₁	828	787	4.70
15	B₁	356	338	35.82
16	B₂	3262	3097	2.89
17	B₂	1731	1643	0.03
18	B₂	1389	1319	34.00
19	B₂	1247	1184	0.73
20	B₂	1088	1033	34.31
21	B₂	935	887	66.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.202
N2	0.000	0.997	0.284
N3	0.000	-0.997	0.284
C4	0.000	0.724	-0.948
C5	0.000	-0.724	-0.948
H6	-0.893	0.000	1.825
H7	0.893	0.000	1.825
H8	0.000	1.471	-1.726
H9	0.000	-1.471	-1.726

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3551	1.3551	2.2687	2.2687	1.0891	1.0891	3.2764	3.2764
N2	1.3551		1.9933	1.2614	2.1164	2.0412	2.0412	2.0647	3.1822
N3	1.3551	1.9933		2.1164	1.2614	2.0412	2.0412	3.1822	2.0647
C4	2.2687	1.2614	2.1164		1.4488	3.0020	3.0020	1.0780	2.3289
C5	2.2687	2.1164	1.2614	1.4488		3.0020	3.0020	2.3289	1.0780
H6	1.0891	2.0412	2.0412	3.0020	3.0020		1.7865	3.9458	3.9458
H7	1.0891	2.0412	2.0412	3.0020	3.0020	1.7865		3.9458	3.9458
H8	3.2764	2.0647	3.1822	1.0780	2.3289	3.9458	3.9458		2.9415
H9	3.2764	3.1822	2.0647	2.3289	1.0780	3.9458	3.9458	2.9415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.190	C1	N3	C5	120.190
N2	C1	N3	94.691	N2	C1	H6	112.807
N2	C1	H7	112.807	N2	C4	C5	102.464
N2	C4	H8	123.722	N3	C1	H6	112.807
N3	C1	H7	112.807	N3	C5	C4	102.464
N3	C5	H9	123.722	C4	C5	H9	133.814
C5	C4	H8	133.814	H6	C1	H7	110.209

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

using model chemistry: MP2/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: MP2/cc-pVTZ

States and conformations

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