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	hartrees
Energy at 0K	-224.044059
Energy at 298.15K	-224.050102
HF Energy	-223.545410
Nuclear repulsion energy	160.946619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3650	3650	69.66
2	A'	3325	3325	1.62
3	A'	3302	3302	2.25
4	A'	3299	3299	1.77
5	A'	1556	1556	21.35
6	A'	1491	1491	6.53
7	A'	1434	1434	19.60
8	A'	1346	1346	9.41
9	A'	1289	1289	6.60
10	A'	1176	1176	1.02
11	A'	1103	1103	4.78
12	A'	1090	1090	39.49
13	A'	1049	1049	11.28
14	A'	972	972	2.06
15	A'	929	929	9.39
16	A"	868	868	1.54
17	A"	841	841	29.07
18	A"	754	754	37.31
19	A"	683	683	6.26
20	A"	657	657	45.06
21	A"	623	623	132.03

Atom	x (Å)	y (Å)
N1	0.000	1.121
C2	-1.112	0.288
C3	1.134	0.298
N4	-0.758	-0.996
C5	0.658	-0.995
H6	-0.002	2.130
H7	-2.122	0.665
H8	2.136	0.695
H9	1.217	-1.915

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3891	1.4005	2.2482	2.2153	1.0093	2.1703	2.1777	3.2705
C2	1.3891		2.2459	1.3322	2.1862	2.1501	1.0776	3.2732	3.2064
C3	1.4005	2.2459		2.2922	1.3779	2.1552	3.2762	1.0776	2.2148
N4	2.2482	1.3322	2.2922		1.4160	3.2158	2.1489	3.3515	2.1788
C5	2.2153	2.1862	1.3779	1.4160		3.1936	3.2375	2.2447	1.0769
H6	1.0093	2.1501	2.1552	3.2158	3.1936		2.5767	2.5749	4.2246
H7	2.1703	1.0776	3.2762	2.1489	3.2375	2.5767		4.2577	4.2196
H8	2.1777	3.2732	1.0776	3.3515	2.2447	2.5749	4.2577		2.7666
H9	3.2705	3.2064	2.2148	2.1788	1.0769	4.2246	4.2196	2.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.395	N1	C2	H7	122.747
N1	C3	C5	105.747	N1	C3	H8	122.462
C2	N1	C3	107.243	C2	N1	H6	126.679
C2	N4	C5	105.367	C3	N1	H6	126.078
C3	C5	N4	110.248	C3	C5	H9	128.494
N4	C2	H7	125.858	N4	C5	H9	121.258
C5	C3	H8	131.791

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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