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	hartrees
Energy at 0K	-226.057891
Energy at 298.15K	-226.053121
HF Energy	-224.814429
Nuclear repulsion energy	164.982114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3921	3695	89.55
2	A'	3475	3274	4.27
3	A'	3447	3247	0.97
4	A'	3445	3245	13.47
5	A'	1745	1644	26.70
6	A'	1666	1569	27.01
7	A'	1588	1496	26.42
8	A'	1505	1418	10.55
9	A'	1411	1330	0.57
10	A'	1258	1185	4.93
11	A'	1235	1163	4.35
12	A'	1192	1123	13.43
13	A'	1158	1091	55.93
14	A'	1022	963	1.70
15	A'	985	928	7.58
16	A"	999	941	0.25
17	A"	965	909	15.91
18	A"	839	790	45.67
19	A"	733	691	11.64
20	A"	693	653	7.28
21	A"	535	505	145.28

Atom	x (Å)	y (Å)
N1	0.000	1.103
C2	-1.091	0.284
C3	1.119	0.306
N4	-0.740	-0.993
C5	0.635	-0.983
H6	-0.010	2.115
H7	-2.103	0.663
H8	2.118	0.714
H9	1.202	-1.904

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3645	1.3742	2.2233	2.1807	1.0119	2.1490	2.1539	3.2383
C2	1.3645		2.2096	1.3236	2.1404	2.1267	1.0816	3.2377	3.1684
C3	1.3742	2.2096		2.2678	1.3763	2.1331	3.2420	1.0796	2.2107
N4	2.2233	1.3236	2.2678		1.3753	3.1929	2.1449	3.3294	2.1450
C5	2.1807	2.1404	1.3763	1.3753		3.1646	3.1950	2.2536	1.0813
H6	1.0119	2.1267	2.1331	3.1929	3.1646		2.5476	2.5487	4.1977
H7	2.1490	1.0816	3.2420	2.1449	3.1950	2.5476		4.2221	4.1848
H8	2.1539	3.2377	1.0796	3.3294	2.2536	2.5487	4.2221		2.7732
H9	3.2383	3.1684	2.2107	2.1450	1.0813	4.1977	4.1848	2.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.207	N1	C2	H7	122.193
N1	C3	C5	105.206	N1	C3	H8	122.410
C2	N1	C3	106.794	C2	N1	H6	126.466
C2	N4	C5	105.319	C3	N1	H6	126.741
C3	C5	N4	110.474	C3	C5	H9	128.145
N4	C2	H7	125.600	N4	C5	H9	121.380
C5	C3	H8	132.383

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

using model chemistry: G3

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: G3

States and conformations

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