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	hartrees
Energy at 0K	-225.618142
Energy at 298.15K	-225.624018
HF Energy	-224.862256
Nuclear repulsion energy	160.574143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3103	8.64
2	A'	3251	3082	5.54
3	A'	3102	2941	0.91
4	A'	1613	1529	23.16
5	A'	1529	1449	4.38
6	A'	1422	1347	19.75
7	A'	1343	1273	18.06
8	A'	1324	1255	7.00
9	A'	1285	1218	9.01
10	A'	1047	993	54.35
11	A'	1007	954	5.90
12	A'	961	911	2.36
13	A'	882	836	8.54
14	A'	878	832	5.34
15	A"	3154	2990	0.34
16	A"	1152	1092	0.37
17	A"	1002	950	17.77
18	A"	929	881	0.06
19	A"	743	705	7.73
20	A"	552	523	18.70
21	A"	334	317	6.04

Atom	x (Å)	y (Å)	z (Å)
N1	-1.202	0.359	0.000
C2	0.000	1.136	0.000
N3	1.122	0.504	0.000
C4	0.730	-0.902	0.000
C5	-0.764	-0.857	0.000
H6	-0.073	2.214	0.000
H7	1.134	-1.403	0.884
H8	1.134	-1.403	-0.884
H9	-1.431	-1.709	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4309	2.3282	2.3070	1.2929	2.1712	3.0561	3.0561	2.0811
C2	1.4309		1.2878	2.1645	2.1343	1.0807	2.9172	2.9172	3.1847
N3	2.3282	1.2878		1.4592	2.3253	2.0866	2.1013	2.1013	3.3786
C4	2.3070	2.1645	1.4592		1.4943	3.2178	1.0929	1.0929	2.3070
C5	1.2929	2.1343	2.3253	1.4943		3.1478	2.1629	2.1629	1.0824
H6	2.1712	1.0807	2.0866	3.2178	3.1478		3.9139	3.9139	4.1516
H7	3.0561	2.9172	2.1013	1.0929	2.1629	3.9139		1.7671	2.7299
H8	3.0561	2.9172	2.1013	1.0929	2.1629	3.9139	1.7671		2.7299
H9	2.0811	3.1847	3.3786	2.3070	1.0824	4.1516	2.7299	2.7299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.731	N1	C2	H6	118.982
N1	C5	C4	111.526	N1	C5	H9	122.114
C2	N1	C5	103.059	C2	N3	C4	103.819
N3	C2	H6	123.286	N3	C4	C5	103.864
N3	C4	H7	110.014	N3	C4	H8	110.014
C4	C5	H9	126.360	C5	C4	H7	112.513
C5	C4	H8	112.513	H7	C4	H8	107.886

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)

using model chemistry: MP2/TZVP

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 (4H-Imidazole)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)