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	hartrees
Energy at 0K	-223.998345
Energy at 298.15K	-224.004180
HF Energy	-223.504949
Nuclear repulsion energy	156.439623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3293	3143	7.36
2	A'	3259	3110	5.38
3	A'	3122	2980	0.01
4	A'	1522	1453	15.69
5	A'	1495	1427	9.08
6	A'	1409	1345	0.78
7	A'	1312	1252	2.95
8	A'	1304	1244	11.44
9	A'	1255	1198	12.79
10	A'	974	929	30.03
11	A'	917	875	5.17
12	A'	889	849	4.87
13	A'	811	774	8.35
14	A'	767	732	14.88
15	A"	3177	3032	0.36
16	A"	1185	1131	0.04
17	A"	1019	972	20.77
18	A"	949	906	0.19
19	A"	777	742	15.34
20	A"	564	539	17.43
21	A"	381	364	10.83

Atom	x (Å)	y (Å)	z (Å)
N1	1.162	0.558	0.000
C2	0.774	-0.891	0.000
N3	-0.505	-1.158	0.000
C4	-1.185	0.212	0.000
C5	0.000	1.177	0.000
H6	1.557	-1.634	0.000
H7	-1.807	0.296	0.896
H8	-1.807	0.296	-0.896
H9	-0.080	2.256	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.5007	2.3927	2.3725	1.3168	2.2271	3.1130	3.1130	2.1037
C2	1.5007		1.3065	2.2486	2.2084	1.0791	2.9793	2.9793	3.2609
N3	2.3927	1.3065		1.5299	2.3889	2.1164	2.1478	2.1478	3.4400
C4	2.3725	2.2486	1.5299		1.5277	3.3057	1.0943	1.0943	2.3226
C5	1.3168	2.2084	2.3889	1.5277		3.2132	2.2013	2.2013	1.0817
H6	2.2271	1.0791	2.1164	3.3057	3.2132		3.9808	3.9808	4.2200
H7	3.1130	2.9793	2.1478	1.0943	2.2013	3.9808		1.7924	2.7616
H8	3.1130	2.9793	2.1478	1.0943	2.2013	3.9808	1.7924		2.7616
H9	2.1037	3.2609	3.4400	2.3226	1.0817	4.2200	2.7616	2.7616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	116.772	N1	C2	H6	118.465
N1	C5	C4	112.829	N1	C5	H9	122.284
C2	N1	C5	103.031	C2	N3	C4	104.610
N3	C2	H6	124.763	N3	C4	C5	102.757
N3	C4	H7	108.722	N3	C4	H8	108.722
C4	C5	H9	124.887	C5	C4	H7	113.145
C5	C4	H8	113.145	H7	C4	H8	109.961

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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