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	hartrees
Energy at 0K	-225.109162
Energy at 298.15K	-225.115180
HF Energy	-224.669685
Nuclear repulsion energy	158.696614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3153	7.17
2	A'	3323	3116	4.82
3	A'	3146	2950	0.71
4	A'	1688	1583	31.05
5	A'	1612	1511	8.64
6	A'	1527	1432	18.03
7	A'	1361	1277	22.83
8	A'	1346	1262	4.33
9	A'	1337	1254	7.12
10	A'	1026	962	52.76
11	A'	992	931	1.33
12	A'	963	903	4.35
13	A'	891	836	15.69
14	A'	886	831	6.77
15	A"	3193	2994	2.10
16	A"	1208	1133	0.09
17	A"	1073	1006	18.03
18	A"	982	921	0.17
19	A"	814	763	10.03
20	A"	589	552	29.45
21	A"	402	377	9.02

Atom	x (Å)	y (Å)	z (Å)
N1	1.137	0.540	0.000
C2	0.773	-0.877	0.000
N3	-0.493	-1.130	0.000
C4	-1.170	0.200	0.000
C5	0.000	1.165	0.000
H6	1.546	-1.627	0.000
H7	-1.804	0.292	0.886
H8	-1.804	0.292	-0.886
H9	-0.070	2.243	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4628	2.3336	2.3325	1.2980	2.2050	3.0823	3.0823	2.0874
C2	1.4628		1.2910	2.2221	2.1839	1.0768	2.9659	2.9659	3.2319
N3	2.3336	1.2910		1.4929	2.3479	2.0984	2.1281	2.1281	3.3997
C4	2.3325	2.2221	1.4929		1.5172	3.2737	1.0935	1.0935	2.3209
C5	1.2980	2.1839	2.3479	1.5172		3.1918	2.1919	2.1919	1.0799
H6	2.2050	1.0768	2.0984	3.2737	3.1918		3.9616	3.9616	4.1937
H7	3.0823	2.9659	2.1281	1.0935	2.1919	3.9616		1.7723	2.7572
H8	3.0823	2.9659	2.1281	1.0935	2.1919	3.9616	1.7723		2.7572
H9	2.0874	3.2319	3.3997	2.3209	1.0799	4.1937	2.7572	2.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	115.717	N1	C2	H6	119.729
N1	C5	C4	111.665	N1	C5	H9	122.503
C2	N1	C5	104.408	C2	N3	C4	105.690
N3	C2	H6	124.554	N3	C4	C5	102.521
N3	C4	H7	109.768	N3	C4	H8	109.768
C4	C5	H9	125.832	C5	C4	H7	113.189
C5	C4	H8	113.189	H7	C4	H8	108.261

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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