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	hartrees
Energy at 0K	-38.453566
Energy at 298.15K	-38.459437
HF Energy	-38.015883
Nuclear repulsion energy	81.980313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3683	3559	60.05
2	A'	3292	3181	3.27
3	A'	3282	3171	10.66
4	A'	3259	3149	4.08
5	A'	1508	1457	16.80
6	A'	1442	1394	12.17
7	A'	1401	1353	20.15
8	A'	1310	1266	6.35
9	A'	1234	1192	3.93
10	A'	1154	1115	0.66
11	A'	1093	1056	15.40
12	A'	1080	1044	15.66
13	A'	1035	1000	33.44
14	A'	918	887	5.54
15	A'	881	852	5.60
16	A"	786	759	22.67
17	A"	762	736	93.69
18	A"	685	662	50.43
19	A"	658	636	6.59
20	A"	636	615	78.89
21	A"	587	567	48.44

Atom	x (Å)	y (Å)
N1	0.000	1.141
C2	-1.132	0.298
C3	1.159	0.319
N4	-0.768	-1.026
C5	0.664	-1.019
H6	-0.007	2.161
H7	-2.158	0.672
H8	2.169	0.731
H9	1.227	-1.954

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.4117	1.4213	2.2991	2.2601	1.0193	2.2080	2.2075	3.3299
C2	1.4117		2.2911	1.3724	2.2266	2.1764	1.0918	3.3294	3.2614
C3	1.4213	2.2911		2.3498	1.4268	2.1799	3.3354	1.0911	2.2739
N4	2.2991	1.3724	2.3498		1.4317	3.2760	2.1937	3.4227	2.2009
C5	2.2601	2.2266	1.4268	1.4317		3.2497	3.2892	2.3090	1.0918
H6	1.0193	2.1764	2.1799	3.2760	3.2497		2.6157	2.6033	4.2959
H7	2.2080	1.0918	3.3354	2.1937	3.2892	2.6157		4.3271	4.2841
H8	2.2075	3.3294	1.0911	3.4227	2.3090	2.6033	4.3271		2.8459
H9	3.3299	3.2614	2.2739	2.2009	1.0918	4.2959	4.2841	2.8459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.329	N1	C2	H7	123.252
N1	C3	C5	105.039	N1	C3	H8	122.416
C2	N1	C3	107.939	C2	N1	H6	126.315
C2	N4	C5	105.111	C3	N1	H6	125.746
C3	C5	N4	110.582	C3	C5	H9	128.587
N4	C2	H7	125.419	N4	C5	H9	120.832
C5	C3	H8	132.545

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)

using model chemistry: MP2/CEP-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 (1H-Imidazole)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)