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	hartrees
Energy at 0K	-225.653191
Energy at 298.15K	-225.659028
HF Energy	-224.856194
Nuclear repulsion energy	162.366916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3679	3542
2	A'	3261	3140
3	A'	3237	3117
4	A'	3232	3112
5	A'	1559	1501
6	A'	1512	1456
7	A'	1462	1407
8	A'	1363	1312
9	A'	1277	1229
10	A'	1156	1113
11	A'	1154	1111
12	A'	1100	1059
13	A'	1078	1038
14	A'	936	902
15	A'	901	868
16	A"	802	772
17	A"	790	760
18	A"	680	655
19	A"	665	640
20	A"	625	602
21	A"	456	439

Atom	x (Å)	y (Å)
N1	0.000	1.111
C2	-1.092	0.282
C3	1.125	0.304
N4	-0.749	-0.993
C5	0.638	-0.986
H6	-0.010	2.119
H7	-2.108	0.663
H8	2.129	0.710
H9	1.203	-1.912

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3706	1.3847	2.2336	2.1921	1.0081	2.1551	2.1668	3.2536
C2	1.3706		2.2173	1.3211	2.1456	2.1314	1.0850	3.2495	3.1754
C3	1.3847	2.2173		2.2796	1.3789	2.1409	3.2532	1.0830	2.2176
N4	2.2336	1.3211	2.2796		1.3875	3.1989	2.1424	3.3447	2.1574
C5	2.1921	2.1456	1.3789	1.3875		3.1721	3.2035	2.2582	1.0846
H6	1.0081	2.1314	2.1409	3.1989	3.1721		2.5537	2.5619	4.2098
H7	2.1551	1.0850	3.2532	2.1424	3.2035	2.5537		4.2377	4.1944
H8	2.1668	3.2495	1.0830	3.3447	2.2582	2.5619	4.2377		2.7810
H9	3.2536	3.1754	2.2176	2.1574	1.0846	4.2098	4.1944	2.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.147	N1	C2	H7	122.287
N1	C3	C5	104.969	N1	C3	H8	122.345
C2	N1	C3	107.169	C2	N1	H6	126.609
C2	N4	C5	104.741	C3	N1	H6	126.222
C3	C5	N4	110.975	C3	C5	H9	127.962
N4	C2	H7	125.567	N4	C5	H9	121.063
C5	C3	H8	132.686

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

using model chemistry: QCISD(T)/6-311G*

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: QCISD(T)/6-311G*

States and conformations

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