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	hartrees
Energy at 0K	-38.390137
Energy at 298.15K	-38.396019
HF Energy	-37.918670
Nuclear repulsion energy	84.673856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3234	3156	13.35
2	A₁	3066	2992	0.13
3	A₁	1599	1560	29.62
4	A₁	1458	1423	19.92
5	A₁	1353	1320	1.55
6	A₁	1235	1206	7.56
7	A₁	1016	991	4.21
8	A₁	906	884	10.12
9	A₂	1145	1118	0.00
10	A₂	700	684	0.00
11	A₂	525	512	0.00
12	B₁	3137	3061	0.05
13	B₁	1058	1033	17.20
14	B₁	762	744	20.96
15	B₁	339	331	44.69
16	B₂	3218	3140	4.43
17	B₂	1635	1596	0.01
18	B₂	1351	1319	13.65
19	B₂	1250	1220	10.47
20	B₂	1058	1033	41.16
21	B₂	946	923	68.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.247
N2	0.000	0.999	0.291
N3	0.000	-0.999	0.291
C4	0.000	0.749	-0.982
C5	0.000	-0.749	-0.982
H6	-0.904	0.000	1.868
H7	0.904	0.000	1.868
H8	0.000	1.515	-1.752
H9	0.000	-1.515	-1.752

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3829	1.3829	2.3511	2.3511	1.0967	1.0967	3.3591	3.3591
N2	1.3829		1.9981	1.2966	2.1622	2.0746	2.0746	2.1061	3.2386
N3	1.3829	1.9981		2.1622	1.2966	2.0746	2.0746	3.2386	2.1061
C4	2.3511	1.2966	2.1622		1.4984	3.0823	3.0823	1.0855	2.3911
C5	2.3511	2.1622	1.2966	1.4984		3.0823	3.0823	2.3911	1.0855
H6	1.0967	2.0746	2.0746	3.0823	3.0823		1.8073	4.0266	4.0266
H7	1.0967	2.0746	2.0746	3.0823	3.0823	1.8073		4.0266	4.0266
H8	3.3591	2.1061	3.2386	1.0855	2.3911	4.0266	4.0266		3.0292
H9	3.3591	3.2386	2.1061	2.3911	1.0855	4.0266	4.0266	3.0292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	122.635	C1	N3	C5	122.635
N2	C1	N3	92.509	N2	C1	H6	113.068
N2	C1	H7	113.068	N2	C4	C5	101.110
N2	C4	H8	124.052	N3	C1	H6	113.068
N3	C1	H7	113.068	N3	C5	C4	101.110
N3	C5	H9	124.052	C4	C5	H9	134.838
C5	C4	H8	134.838	H6	C1	H7	110.964

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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