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	hartrees
Energy at 0K	-225.664001
Energy at 298.15K	-225.669644
HF Energy	-224.885205
Nuclear repulsion energy	163.373102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3715	3546	71.67
2	A'	3325	3173	1.52
3	A'	3297	3147	0.70
4	A'	3296	3145	4.93
5	A'	1595	1522	12.08
6	A'	1541	1471	23.63
7	A'	1474	1406	22.13
8	A'	1393	1330	7.55
9	A'	1313	1253	0.69
10	A'	1174	1120	5.30
11	A'	1163	1110	5.77
12	A'	1118	1067	13.65
13	A'	1094	1045	40.61
14	A'	954	911	1.82
15	A'	920	878	5.54
16	A"	784	748	67.58
17	A"	763	728	0.12
18	A"	679	648	11.15
19	A"	652	622	10.78
20	A"	585	558	34.04
21	A"	280	268	71.46

Atom	x (Å)	y (Å)
N1	0.000	1.105
C2	-1.086	0.281
C3	1.118	0.297
N4	-0.745	-0.983
C5	0.637	-0.981
H6	-0.012	2.109
H7	-2.095	0.660
H8	2.116	0.698
H9	1.196	-1.901

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3634	1.3793	2.2174	2.1808	1.0047	2.1417	2.1549	3.2350
C2	1.3634		2.2044	1.3095	2.1357	2.1206	1.0776	3.2294	3.1575
C3	1.3793	2.2044		2.2612	1.3657	2.1360	3.2335	1.0755	2.1994
N4	2.2174	1.3095	2.2612		1.3824	3.1786	2.1265	3.3190	2.1475
C5	2.1808	2.1357	1.3657	1.3824		3.1579	3.1868	2.2375	1.0766
H6	1.0047	2.1206	2.1360	3.1786	3.1579		2.5373	2.5541	4.1885
H7	2.1417	1.0776	3.2335	2.1265	3.1868	2.5373		4.2113	4.1701
H8	2.1549	3.2294	1.0755	3.3190	2.2375	2.5541	4.2113		2.7568
H9	3.2350	3.1575	2.1994	2.1475	1.0766	4.1885	4.1701	2.7568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.097	N1	C2	H7	122.222
N1	C3	C5	105.211	N1	C3	H8	122.285
C2	N1	C3	106.978	C2	N1	H6	126.471
C2	N4	C5	104.978	C3	N1	H6	126.551
C3	C5	N4	110.737	C3	C5	H9	128.071
N4	C2	H7	125.681	N4	C5	H9	121.192
C5	C3	H8	132.503

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

using model chemistry: CCSD/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/TZVP

States and conformations

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