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	hartrees
Energy at 0K	-225.655832
Energy at 298.15K	-225.661720
HF Energy	-224.843593
Nuclear repulsion energy	161.403540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3658	3521
2	A'	3281	3158
3	A'	3258	3135
4	A'	3253	3131
5	A'	1539	1481
6	A'	1492	1436
7	A'	1441	1387
8	A'	1349	1299
9	A'	1259	1212
10	A'	1140	1097
11	A'	1132	1090
12	A'	1085	1044
13	A'	1060	1020
14	A'	924	889
15	A'	887	853
16	A"	830	799
17	A"	799	769
18	A"	706	680
19	A"	661	636
20	A"	623	600
21	A"	491	472

Atom	x (Å)	y (Å)
N1	0.000	1.116
C2	-1.100	0.286
C3	1.132	0.306
N4	-0.753	-0.998
C5	0.643	-0.994
H6	-0.014	2.128
H7	-2.120	0.671
H8	2.142	0.714
H9	1.213	-1.923

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3775	1.3918	2.2443	2.2056	1.0128	2.1662	2.1788	3.2723
C2	1.3775		2.2317	1.3310	2.1626	2.1383	1.0903	3.2695	3.1991
C3	1.3918	2.2317		2.2918	1.3887	2.1529	3.2723	1.0893	2.2305
N4	2.2443	1.3310	2.2918		1.3956	3.2131	2.1581	3.3631	2.1728
C5	2.2056	2.1626	1.3887	1.3956		3.1909	3.2259	2.2725	1.0904
H6	1.0128	2.1383	2.1529	3.2131	3.1909		2.5612	2.5780	4.2336
H7	2.1662	1.0903	3.2723	2.1581	3.2259	2.5612		4.2618	4.2242
H8	2.1788	3.2695	1.0893	3.3631	2.2725	2.5780	4.2618		2.7960
H9	3.2723	3.1991	2.2305	2.1728	1.0904	4.2336	4.2242	2.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.899	N1	C2	H7	122.320
N1	C3	C5	104.980	N1	C3	H8	122.380
C2	N1	C3	107.390	C2	N1	H6	126.229
C2	N4	C5	104.937	C3	N1	H6	126.382
C3	C5	N4	110.794	C3	C5	H9	127.832
N4	C2	H7	125.781	N4	C5	H9	121.373
C5	C3	H8	132.639

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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: CCSD(T)/aug-cc-pVDZ

States and conformations

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