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	hartrees
Energy at 0K	-225.541173
Energy at 298.15K	-225.547092
HF Energy	-224.811393
Nuclear repulsion energy	162.989393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3673	3461	71.73
2	A'	3336	3143	0.93
3	A'	3312	3121	0.93
4	A'	3308	3117	4.14
5	A'	1570	1480	8.69
6	A'	1538	1449	19.03
7	A'	1496	1410	20.11
8	A'	1402	1321	11.25
9	A'	1303	1228	0.92
10	A'	1202	1133	3.39
11	A'	1180	1111	2.81
12	A'	1130	1065	23.86
13	A'	1107	1043	26.74
14	A'	946	891	1.93
15	A'	906	854	7.44
16	A"	819	772	20.49
17	A"	772	727	42.07
18	A"	693	653	11.96
19	A"	686	647	1.78
20	A"	641	604	37.24
21	A"	527	496	87.30

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	111.588	N1	C2	H7	122.516
N1	C3	C5	104.910	N1	C3	H8	122.296
C2	N1	C3	107.571	C2	N1	H6	126.353
C2	N4	C5	104.926	C3	N1	H6	126.076
C3	C5	N4	111.006	C3	C5	H9	127.801
N4	C2	H7	125.896	N4	C5	H9	121.194
C5	C3	H8	132.794

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

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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