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	hartrees
Energy at 0K	-225.527290
Energy at 298.15K	-225.533303
HF Energy	-224.754850
Nuclear repulsion energy	165.904218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3296	9.50
2	A₁	3123	3123	0.03
3	A₁	1738	1738	21.90
4	A₁	1446	1446	0.19
5	A₁	1412	1412	24.54
6	A₁	1278	1278	2.66
7	A₁	1051	1051	0.31
8	A₁	948	948	11.94
9	A₂	1162	1162	0.00
10	A₂	903	903	0.00
11	A₂	535	535	0.00
12	B₁	3175	3175	0.25
13	B₁	1019	1019	24.60
14	B₁	827	827	5.70
15	B₁	347	347	34.32
16	B₂	3279	3279	3.08
17	B₂	1805	1805	0.04
18	B₂	1434	1434	36.17
19	B₂	1255	1255	3.09
20	B₂	1096	1096	30.50
21	B₂	942	942	58.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.212
N2	0.000	0.998	0.282
N3	0.000	-0.998	0.282
C4	0.000	0.732	-0.953
C5	0.000	-0.732	-0.953
H6	-0.902	0.000	1.839
H7	0.902	0.000	1.839
H8	0.000	1.486	-1.737
H9	0.000	-1.486	-1.737

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3636	1.3636	2.2852	2.2852	1.0987	1.0987	3.3024	3.3024
N2	1.3636		1.9951	1.2633	2.1253	2.0573	2.0573	2.0776	3.2011
N3	1.3636	1.9951		2.1253	1.2633	2.0573	2.0573	3.2011	2.0776
C4	2.2852	1.2633	2.1253		1.4640	3.0239	3.0239	1.0881	2.3529
C5	2.2852	2.1253	1.2633	1.4640		3.0239	3.0239	2.3529	1.0881
H6	1.0987	2.0573	2.0573	3.0239	3.0239		1.8046	3.9763	3.9763
H7	1.0987	2.0573	2.0573	3.0239	3.0239	1.8046		3.9763	3.9763
H8	3.3024	2.0776	3.2011	1.0881	2.3529	3.9763	3.9763		2.9727
H9	3.3024	3.2011	2.0776	2.3529	1.0881	3.9763	3.9763	2.9727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.853	C1	N3	C5	120.853
N2	C1	N3	94.028	N2	C1	H6	112.895
N2	C1	H7	112.895	N2	C4	C5	102.133
N2	C4	H8	123.980	N3	C1	H6	112.895
N3	C1	H7	112.895	N3	C5	C4	102.133
N3	C5	H9	123.980	C4	C5	H9	133.888
C5	C4	H8	133.888	H6	C1	H7	110.415

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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: MP3=FULL/aug-cc-pVDZ

States and conformations

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