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	hartrees
Energy at 0K	-225.833101
Energy at 298.15K	-225.839049
HF Energy	-224.893679
Nuclear repulsion energy	162.965745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3686	3497
2	A'	3288	3119
3	A'	3262	3095
4	A'	3259	3091
5	A'	1555	1475
6	A'	1511	1434
7	A'	1448	1374
8	A'	1364	1294
9	A'	1282	1216
10	A'	1152	1093
11	A'	1147	1088
12	A'	1096	1039
13	A'	1075	1019
14	A'	935	887
15	A'	899	853
16	A"	864	820
17	A"	827	785
18	A"	730	692
19	A"	675	640
20	A"	639	606
21	A"	492	467

Atom	x (Å)	y (Å)
N1	0.000	1.107
C2	-1.089	0.283
C3	1.121	0.301
N4	-0.747	-0.989
C5	0.637	-0.984
H6	-0.012	2.111
H7	-2.097	0.663
H8	2.118	0.704
H9	1.201	-1.902

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3655	1.3805	2.2250	2.1856	1.0042	2.1437	2.1564	3.2395
C2	1.3655		2.2097	1.3173	2.1410	2.1216	1.0779	3.2347	3.1650
C3	1.3805	2.2097		2.2697	1.3726	2.1353	3.2385	1.0759	2.2040
N4	2.2250	1.3173	2.2697		1.3840	3.1859	2.1343	3.3278	2.1511
C5	2.1856	2.1410	1.3726	1.3840		3.1621	3.1924	2.2453	1.0773
H6	1.0042	2.1216	2.1353	3.1859	3.1621		2.5384	2.5532	4.1920
H7	2.1437	1.0779	3.2385	2.1343	3.1924	2.5384		4.2159	4.1785
H8	2.1564	3.2347	1.0759	3.3278	2.2453	2.5532	4.2159		2.7621
H9	3.2395	3.1650	2.2040	2.1511	1.0773	4.1920	4.1785	2.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.059	N1	C2	H7	122.216
N1	C3	C5	105.098	N1	C3	H8	122.285
C2	N1	C3	107.164	C2	N1	H6	126.424
C2	N4	C5	104.833	C3	N1	H6	126.413
C3	C5	N4	110.846	C3	C5	H9	127.809
N4	C2	H7	125.725	N4	C5	H9	121.346
C5	C3	H8	132.617

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

using model chemistry: QCISD(T)/cc-pVTZ

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)/cc-pVTZ

States and conformations

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