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	hartrees
Energy at 0K	-222.284908
Energy at 298.15K	-222.290545
HF Energy	-221.978936
Nuclear repulsion energy	158.513421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3365	63.69
2	A'	3586	3126	7.00
3	A'	3558	3102	8.26
4	A'	3557	3101	8.85
5	A'	1633	1424	12.02
6	A'	1599	1394	9.72
7	A'	1577	1375	19.99
8	A'	1419	1237	13.95
9	A'	1294	1128	1.57
10	A'	1201	1047	2.70
11	A'	1184	1032	14.85
12	A'	1149	1002	4.66
13	A'	1106	964	3.21
14	A'	958	836	1.00
15	A'	922	804	2.77
16	A"	918	800	0.58
17	A"	825	719	12.73
18	A"	794	692	7.70
19	A"	670	584	3.10
20	A"	659	574	9.59
21	A"	436	380	78.44

Atom	x (Å)	y (Å)
N1	0.000	1.137
C2	-1.119	0.286
C3	1.145	0.312
N4	-0.774	-1.041
C5	0.666	-0.991
H6	-0.009	2.179
H7	-2.142	0.686
H8	2.156	0.733
H9	1.258	-1.914

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.4055	1.4110	2.3110	2.2296	1.0426	2.1887	2.1934	3.2998
C2	1.4055		2.2635	1.3708	2.1945	2.1949	1.0986	3.3050	3.2382
C3	1.4110	2.2635		2.3473	1.3878	2.1949	3.3077	1.0956	2.2287
N4	2.3110	1.3708	2.3473		1.4407	3.3098	2.2031	3.4250	2.2110
C5	2.2296	2.1945	1.3878	1.4407		3.2412	3.2706	2.2787	1.0963
H6	1.0426	2.1949	2.1949	3.3098	3.2412		2.6039	2.6031	4.2847
H7	2.1887	1.0986	3.3077	2.2031	3.2706	2.6039		4.2980	4.2797
H8	2.1934	3.3050	1.0956	3.4250	2.2787	2.6031	4.2980		2.7956
H9	3.2998	3.2382	2.2287	2.2110	1.0963	4.2847	4.2797	2.7956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.687	N1	C2	H7	121.378
N1	C3	C5	105.611	N1	C3	H8	121.592
C2	N1	C3	106.958	C2	N1	H6	126.789
C2	N4	C5	102.588	C3	N1	H6	126.253
C3	C5	N4	112.155	C3	C5	H9	127.183
N4	C2	H7	125.935	N4	C5	H9	120.662
C5	C3	H8	132.796

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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