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	hartrees
Energy at 0K	-225.790539
Energy at 298.15K	-225.795982
HF Energy	-224.884065
Nuclear repulsion energy	162.874700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3678	3516
2	A'	3300	3155
3	A'	3274	3130
4	A'	3272	3128
5	A'	1561	1493
6	A'	1514	1447
7	A'	1450	1387
8	A'	1367	1307
9	A'	1293	1236
10	A'	1157	1106
11	A'	1148	1098
12	A'	1103	1054
13	A'	1080	1033
14	A'	940	899
15	A'	906	866
16	A"	751	718
17	A"	718	687
18	A"	658	629
19	A"	629	602
20	A"	547	523
21	A"	204	195

Atom	x (Å)	y (Å)
N1	0.000	1.108
C2	-1.090	0.282
C3	1.121	0.300
N4	-0.747	-0.989
C5	0.638	-0.983
H6	-0.012	2.115
H7	-2.099	0.662
H8	2.120	0.704
H9	1.199	-1.904

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3676	1.3820	2.2261	2.1867	1.0072	2.1463	2.1580	3.2419
C2	1.3676		2.2113	1.3165	2.1418	2.1267	1.0787	3.2372	3.1651
C3	1.3820	2.2113		2.2698	1.3716	2.1397	3.2410	1.0768	2.2054
N4	2.2261	1.3165	2.2698		1.3849	3.1900	2.1344	3.3290	2.1504
C5	2.1867	2.1418	1.3716	1.3849		3.1661	3.1940	2.2453	1.0780
H6	1.0072	2.1267	2.1397	3.1900	3.1661		2.5435	2.5567	4.1975
H7	2.1463	1.0787	3.2410	2.1344	3.1940	2.5435		4.2194	4.1791
H8	2.1580	3.2372	1.0768	3.3290	2.2453	2.5567	4.2194		2.7651
H9	3.2419	3.1651	2.2054	2.1504	1.0780	4.1975	4.1791	2.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.058	N1	C2	H7	122.206
N1	C3	C5	105.143	N1	C3	H8	122.230
C2	N1	C3	107.065	C2	N1	H6	126.485
C2	N4	C5	104.874	C3	N1	H6	126.450
C3	C5	N4	110.860	C3	C5	H9	128.000
N4	C2	H7	125.736	N4	C5	H9	121.140
C5	C3	H8	132.627

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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