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	hartrees
Energy at 0K	-224.027874
Energy at 298.15K	-224.033862
HF Energy	-223.543128
Nuclear repulsion energy	160.244899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3601	3426	69.47
2	A'	3329	3167	0.99
3	A'	3308	3147	2.01
4	A'	3303	3142	1.35
5	A'	1516	1442	22.00
6	A'	1457	1387	5.45
7	A'	1398	1330	13.43
8	A'	1324	1259	6.50
9	A'	1249	1189	10.91
10	A'	1163	1107	1.57
11	A'	1088	1035	23.35
12	A'	1083	1030	13.29
13	A'	1030	980	9.47
14	A'	954	907	2.82
15	A'	908	864	9.58
16	A"	848	807	6.76
17	A"	817	777	36.67
18	A"	733	698	34.62
19	A"	680	647	2.58
20	A"	656	624	37.37
21	A"	610	581	126.50

Atom	x (Å)	y (Å)
N1	0.000	1.126
C2	-1.116	0.291
C3	1.137	0.302
N4	-0.760	-1.008
C5	0.660	-0.997
H6	-0.000	2.139
H7	-2.126	0.668
H8	2.138	0.701
H9	1.223	-1.915

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3939	1.4042	2.2649	2.2235	1.0131	2.1744	2.1797	3.2779
C2	1.3939		2.2534	1.3469	2.1945	2.1586	1.0774	3.2800	3.2157
C3	1.4042	2.2534		2.3054	1.3842	2.1605	3.2832	1.0775	2.2190
N4	2.2649	1.3469	2.3054		1.4201	3.2371	2.1618	3.3644	2.1808
C5	2.2235	2.1945	1.3842	1.4201		3.2050	3.2456	2.2516	1.0768
H6	1.0131	2.1586	2.1605	3.2371	3.2050		2.5847	2.5765	4.2348
H7	2.1744	1.0774	3.2832	2.1618	3.2456	2.5847		4.2637	4.2293
H8	2.1797	3.2800	1.0775	3.3644	2.2516	2.5765	4.2637		2.7721
H9	3.2779	3.2157	2.2190	2.1808	1.0768	4.2348	4.2293	2.7721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.448	N1	C2	H7	122.740
N1	C3	C5	105.764	N1	C3	H8	122.327
C2	N1	C3	107.291	C2	N1	H6	126.770
C2	N4	C5	104.919	C3	N1	H6	125.939
C3	C5	N4	110.578	C3	C5	H9	128.328
N4	C2	H7	125.812	N4	C5	H9	121.094
C5	C3	H8	131.909

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

using model chemistry: MP2/3-21G*

States and conformations

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