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	hartrees
Energy at 0K	-38.754338
Energy at 298.15K	-38.760272
HF Energy	-38.051487
Nuclear repulsion energy	85.879319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3118	13.12
2	A₁	3112	2965	0.15
3	A₁	1655	1577	21.82
4	A₁	1448	1380	11.95
5	A₁	1397	1331	13.10
6	A₁	1260	1200	5.18
7	A₁	1044	994	1.04
8	A₁	922	878	13.20
9	A₂	1139	1086	0.00
10	A₂	842	803	0.00
11	A₂	528	503	0.00
12	B₁	3174	3024	0.11
13	B₁	1020	972	23.94
14	B₁	809	771	11.55
15	B₁	338	322	37.19
16	B₂	3260	3106	4.38
17	B₂	1719	1638	0.00
18	B₂	1399	1333	38.05
19	B₂	1248	1189	1.89
20	B₂	1087	1036	36.44
21	B₂	928	885	67.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.216
N2	0.000	0.997	0.286
N3	0.000	-0.997	0.286
C4	0.000	0.732	-0.959
C5	0.000	-0.732	-0.959
H6	-0.901	0.000	1.838
H7	0.901	0.000	1.838
H8	0.000	1.492	-1.733
H9	0.000	-1.492	-1.733

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3633	1.3633	2.2945	2.2945	1.0949	1.0949	3.3045	3.3045
N2	1.3633		1.9950	1.2734	2.1311	2.0526	2.0526	2.0790	3.2052
N3	1.3633	1.9950		2.1311	1.2734	2.0526	2.0526	3.2052	2.0790
C4	2.2945	1.2734	2.1311		1.4638	3.0280	3.0280	1.0846	2.3543
C5	2.2945	2.1311	1.2734	1.4638		3.0280	3.0280	2.3543	1.0846
H6	1.0949	2.0526	2.0526	3.0280	3.0280		1.8021	3.9732	3.9732
H7	1.0949	2.0526	2.0526	3.0280	3.0280	1.8021		3.9732	3.9732
H8	3.3045	2.0790	3.2052	1.0846	2.3543	3.9732	3.9732		2.9831
H9	3.3045	3.2052	2.0790	2.3543	1.0846	3.9732	3.9732	2.9831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.933	C1	N3	C5	120.933
N2	C1	N3	94.056	N2	C1	H6	112.783
N2	C1	H7	112.783	N2	C4	C5	102.039
N2	C4	H8	123.499	N3	C1	H6	112.783
N3	C1	H7	112.783	N3	C5	C4	102.039
N3	C5	H9	123.499	C4	C5	H9	134.462
C5	C4	H8	134.462	H6	C1	H7	110.764

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)