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	hartrees
Energy at 0K	-225.646971
Energy at 298.15K	-225.652880
HF Energy	-224.817534
Nuclear repulsion energy	160.541686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3094	8.09
2	A'	3258	3077	3.74
3	A'	3108	2936	0.49
4	A'	1614	1525	23.01
5	A'	1534	1449	4.58
6	A'	1419	1341	18.86
7	A'	1331	1257	21.52
8	A'	1311	1238	5.50
9	A'	1264	1194	6.67
10	A'	1057	999	49.33
11	A'	1016	960	8.84
12	A'	963	910	2.70
13	A'	876	827	4.53
14	A'	874	826	14.49
15	A"	3160	2985	0.01
16	A"	1168	1103	0.45
17	A"	1003	948	11.60
18	A"	960	907	1.45
19	A"	754	713	5.46
20	A"	562	531	18.53
21	A"	356	337	7.01

Atom	x (Å)	y (Å)	z (Å)
N1	-1.203	0.364	0.000
C2	0.000	1.134	0.000
N3	1.124	0.501	0.000
C4	0.729	-0.902	0.000
C5	-0.765	-0.855	0.000
H6	-0.071	2.214	0.000
H7	1.137	-1.408	0.881
H8	1.137	-1.408	-0.881
H9	-1.435	-1.707	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4282	2.3303	2.3095	1.2948	2.1690	3.0642	3.0642	2.0832
C2	1.4282		1.2897	2.1621	2.1308	1.0824	2.9208	2.9208	3.1823
N3	2.3303	1.2897		1.4565	2.3247	2.0885	2.1024	2.1024	3.3791
C4	2.3095	2.1621	1.4565		1.4951	3.2166	1.0949	1.0949	2.3094
C5	1.2948	2.1308	2.3247	1.4951		3.1464	2.1678	2.1678	1.0836
H6	2.1690	1.0824	2.0885	3.2166	3.1464		3.9186	3.9186	4.1511
H7	3.0642	2.9208	2.1024	1.0949	2.1678	3.9186		1.7618	2.7351
H8	3.0642	2.9208	2.1024	1.0949	2.1678	3.9186	1.7618		2.7351
H9	2.0832	3.1823	3.3791	2.3094	1.0836	4.1511	2.7351	2.7351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.962	N1	C2	H6	118.885
N1	C5	C4	111.542	N1	C5	H9	122.038
C2	N1	C5	102.877	C2	N3	C4	103.703
N3	C2	H6	123.153	N3	C4	C5	103.915
N3	C4	H7	110.172	N3	C4	H8	110.172
C4	C5	H9	126.420	C5	C4	H7	112.732
C5	C4	H8	112.732	H7	C4	H8	107.130

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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