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	hartrees
Energy at 0K	-225.808156
Energy at 298.15K	-225.814076
HF Energy	-224.872204
Nuclear repulsion energy	160.280905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3228	3147
2	A'	3205	3125
3	A'	3056	2979
4	A'	1630	1589
5	A'	1539	1500
6	A'	1419	1383
7	A'	1323	1289
8	A'	1308	1275
9	A'	1267	1236
10	A'	1031	1005
11	A'	997	971
12	A'	945	922
13	A'	875	853
14	A'	871	849
15	A"	3097	3019
16	A"	1168	1138
17	A"	1003	978
18	A"	958	934
19	A"	757	738
20	A"	555	541
21	A"	369	359

Atom	x (Å)	y (Å)	z (Å)
N1	-1.205	0.358	0.000
C2	0.000	1.138	0.000
N3	1.122	0.507	0.000
C4	0.735	-0.905	0.000
C5	-0.766	-0.857	0.000
H6	-0.073	2.217	0.000
H7	1.138	-1.410	0.882
H8	1.138	-1.410	-0.882
H9	-1.433	-1.710	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4354	2.3320	2.3149	1.2920	2.1764	3.0658	3.0658	2.0805
C2	1.4354		1.2873	2.1704	2.1364	1.0814	2.9266	2.9266	3.1878
N3	2.3320	1.2873		1.4633	2.3286	2.0860	2.1099	2.1099	3.3824
C4	2.3149	2.1704	1.4633		1.5014	3.2239	1.0940	1.0940	2.3128
C5	1.2920	2.1364	2.3286	1.5014		3.1506	2.1705	2.1705	1.0830
H6	2.1764	1.0814	2.0860	3.2239	3.1506		3.9240	3.9240	4.1554
H7	3.0658	2.9266	2.1099	1.0940	2.1705	3.9240		1.7645	2.7354
H8	3.0658	2.9266	2.1099	1.0940	2.1705	3.9240	1.7645		2.7354
H9	2.0805	3.1878	3.3824	2.3128	1.0830	4.1554	2.7354	2.7354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.751	N1	C2	H6	119.036
N1	C5	C4	111.712	N1	C5	H9	122.070
C2	N1	C5	103.002	C2	N3	C4	104.019
N3	C2	H6	123.213	N3	C4	C5	103.515
N3	C4	H7	110.358	N3	C4	H8	110.358
C4	C5	H9	126.218	C5	C4	H7	112.556
C5	C4	H8	112.556	H7	C4	H8	107.502

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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