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	hartrees
Energy at 0K	-225.677329
Energy at 298.15K	-225.683321
HF Energy	-224.836775
Nuclear repulsion energy	163.267107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3712	3506	79.54
2	A'	3338	3153	0.34
3	A'	3312	3129	0.50
4	A'	3310	3126	2.25
5	A'	1543	1457	9.15
6	A'	1516	1432	18.09
7	A'	1474	1392	15.65
8	A'	1377	1301	8.83
9	A'	1284	1213	0.79
10	A'	1195	1128	3.51
11	A'	1163	1098	2.40
12	A'	1114	1053	24.30
13	A'	1093	1032	22.49
14	A'	937	885	1.46
15	A'	898	848	8.39
16	A"	853	806	9.92
17	A"	800	756	35.03
18	A"	725	685	15.63
19	A"	691	652	0.00
20	A"	653	617	24.59
21	A"	557	526	78.27

Atom	x (Å)	y (Å)
N1	0.000	1.102
C2	-1.088	0.284
C3	1.117	0.306
N4	-0.740	-0.992
C5	0.633	-0.983
H6	-0.011	2.108
H7	-2.096	0.666
H8	2.111	0.717
H9	1.200	-1.900

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3613	1.3712	2.2207	2.1790	1.0061	2.1408	2.1459	3.2327
C2	1.3613		2.2048	1.3223	2.1372	2.1183	1.0781	3.2284	3.1627
C3	1.3712	2.2048		2.2653	1.3768	2.1258	3.2328	1.0760	2.2075
N4	2.2207	1.3223	2.2653		1.3731	3.1844	2.1421	3.3240	2.1418
C5	2.1790	2.1372	1.3768	1.3731		3.1575	3.1888	2.2527	1.0778
H6	1.0061	2.1183	2.1258	3.1844	3.1575		2.5348	2.5375	4.1868
H7	2.1408	1.0781	3.2328	2.1421	3.1888	2.5348		4.2074	4.1770
H8	2.1459	3.2284	1.0760	3.3240	2.2527	2.5375	4.2074		2.7710
H9	3.2327	3.1627	2.2075	2.1418	1.0778	4.1868	4.1770	2.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.675	N1	C2	H7	122.282
N1	C3	C5	104.918	N1	C3	H8	122.067
C2	N1	C3	107.584	C2	N1	H6	126.302
C2	N4	C5	104.896	C3	N1	H6	126.115
C3	C5	N4	110.928	C3	C5	H9	127.719
N4	C2	H7	126.043	N4	C5	H9	121.353
C5	C3	H8	133.015

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

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

States and conformations

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