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	hartrees
Energy at 0K	-225.575147
Energy at 298.15K	-225.581041
HF Energy	-224.793259
Nuclear repulsion energy	159.743160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3235	3235
2	A'	3214	3214
3	A'	3061	3061
4	A'	1648	1648
5	A'	1560	1560
6	A'	1464	1464
7	A'	1338	1338
8	A'	1326	1326
9	A'	1290	1290
10	A'	1038	1038
11	A'	1004	1004
12	A'	960	960
13	A'	879	879
14	A'	874	874
15	A"	3105	3105
16	A"	1176	1176
17	A"	1010	1010
18	A"	938	938
19	A"	761	761
20	A"	556	556
21	A"	366	366

Atom	x (Å)	y (Å)	z (Å)
N1	-1.209	0.362	0.000
C2	0.000	1.141	0.000
N3	1.126	0.505	0.000
C4	0.735	-0.908	0.000
C5	-0.768	-0.858	0.000
H6	-0.071	2.227	0.000
H7	1.145	-1.415	0.887
H8	1.145	-1.415	-0.887
H9	-1.440	-1.716	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4383	2.3399	2.3225	1.2979	2.1849	3.0802	3.0802	2.0912
C2	1.4383		1.2930	2.1765	2.1416	1.0884	2.9373	2.9373	3.1994
N3	2.3399	1.2930		1.4663	2.3341	2.0966	2.1148	2.1148	3.3943
C4	2.3225	2.1765	1.4663		1.5040	3.2366	1.1005	1.1005	2.3206
C5	1.2979	2.1416	2.3341	1.5040		3.1631	2.1810	2.1810	1.0897
H6	2.1849	1.0884	2.0966	3.2366	3.1631		3.9401	3.9401	4.1741
H7	3.0802	2.9373	2.1148	1.1005	2.1810	3.9401		1.7732	2.7499
H8	3.0802	2.9373	2.1148	1.1005	2.1810	3.9401	1.7732		2.7499
H9	2.0912	3.1994	3.3943	2.3206	1.0897	4.1741	2.7499	2.7499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.795	N1	C2	H6	119.056
N1	C5	C4	111.760	N1	C5	H9	122.052
C2	N1	C5	102.898	C2	N3	C4	103.966
N3	C2	H6	123.150	N3	C4	C5	103.581
N3	C4	H7	110.140	N3	C4	H8	110.140
C4	C5	H9	126.188	C5	C4	H7	112.815
C5	C4	H8	112.815	H7	C4	H8	107.342

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)

using model chemistry: QCISD(T)=FULL/6-31G*

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 (4H-Imidazole)

using model chemistry: QCISD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₄N₂ (4H-Imidazole)