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	hartrees
Energy at 0K	-225.719558
Energy at 298.15K	-225.725585
HF Energy	-224.837503
Nuclear repulsion energy	163.702363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3500	79.63
2	A'	3347	3146	0.38
3	A'	3322	3122	0.54
4	A'	3320	3120	2.26
5	A'	1548	1455	9.18
6	A'	1520	1429	18.67
7	A'	1480	1391	15.13
8	A'	1384	1301	9.07
9	A'	1288	1211	0.68
10	A'	1203	1131	3.25
11	A'	1168	1098	2.42
12	A'	1120	1053	25.34
13	A'	1096	1030	21.85
14	A'	943	886	1.46
15	A'	903	849	8.56
16	A"	863	811	8.76
17	A"	811	762	32.25
18	A"	732	688	18.08
19	A"	699	657	0.07
20	A"	664	624	23.92
21	A"	571	537	79.90

Atom	x (Å)	y (Å)
N1	0.000	1.099
C2	-1.085	0.283
C3	1.113	0.305
N4	-0.737	-0.989
C5	0.631	-0.981
H6	-0.011	2.103
H7	-2.091	0.665
H8	2.107	0.714
H9	1.199	-1.895

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3575	1.3670	2.2140	2.1733	1.0047	2.1358	2.1418	3.2250
C2	1.3575		2.1986	1.3187	2.1316	2.1138	1.0764	3.2211	3.1562
C3	1.3670	2.1986		2.2584	1.3737	2.1204	3.2249	1.0745	2.2023
N4	2.2140	1.3187	2.2584		1.3686	3.1765	2.1378	3.3152	2.1378
C5	2.1733	2.1316	1.3737	1.3686		3.1504	3.1817	2.2474	1.0761
H6	1.0047	2.1138	2.1204	3.1765	3.1504		2.5293	2.5326	4.1775
H7	2.1358	1.0764	3.2249	2.1378	3.1817	2.5293		4.1987	4.1692
H8	2.1418	3.2211	1.0745	3.3152	2.2474	2.5326	4.1987		2.7629
H9	3.2250	3.1562	2.2023	2.1378	1.0761	4.1775	4.1692	2.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.634	N1	C2	H7	122.270
N1	C3	C5	104.929	N1	C3	H8	122.168
C2	N1	C3	107.600	C2	N1	H6	126.320
C2	N4	C5	104.960	C3	N1	H6	126.080
C3	C5	N4	110.877	C3	C5	H9	127.625
N4	C2	H7	126.096	N4	C5	H9	121.498
C5	C3	H8	132.904

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

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

States and conformations

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