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	hartrees
Energy at 0K	-225.570310
Energy at 298.15K	-225.576188
HF Energy	-224.824882
Nuclear repulsion energy	159.321425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3128	7.42
2	A'	3240	3107	5.03
3	A'	3077	2951	1.68
4	A'	1586	1521	25.34
5	A'	1506	1444	4.83
6	A'	1389	1332	20.65
7	A'	1310	1257	22.93
8	A'	1295	1242	4.08
9	A'	1242	1191	4.46
10	A'	1040	997	47.85
11	A'	1001	960	10.22
12	A'	954	915	2.43
13	A'	866	831	9.99
14	A'	863	827	5.12
15	A"	3131	3002	0.16
16	A"	1147	1100	0.55
17	A"	979	939	19.42
18	A"	939	901	0.83
19	A"	741	710	6.64
20	A"	554	531	17.69
21	A"	352	337	5.46

Atom	x (Å)	y (Å)	z (Å)
N1	-1.209	0.368	0.000
C2	0.000	1.146	0.000
N3	1.131	0.501	0.000
C4	0.732	-0.910	0.000
C5	-0.770	-0.863	0.000
H6	-0.066	2.235	0.000
H7	1.143	-1.417	0.890
H8	1.143	-1.417	-0.890
H9	-1.450	-1.719	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4375	2.3441	2.3240	1.3070	2.1890	3.0841	3.0841	2.1007
C2	1.4375		1.3025	2.1824	2.1515	1.0912	2.9442	2.9442	3.2108
N3	2.3441	1.3025		1.4661	2.3398	2.1077	2.1143	2.1143	3.4044
C4	2.3240	2.1824	1.4661		1.5027	3.2448	1.1040	1.1040	2.3273
C5	1.3070	2.1515	2.3398	1.5027		3.1771	2.1816	2.1816	1.0931
H6	2.1890	1.0912	2.1077	3.2448	3.1771		3.9488	3.9488	4.1891
H7	3.0841	2.9442	2.1143	1.1040	2.1816	3.9488		1.7808	2.7584
H8	3.0841	2.9442	2.1143	1.1040	2.1816	3.9488	1.7808		2.7584
H9	2.1007	3.2108	3.4044	2.3273	1.0931	4.1891	2.7584	2.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.543	N1	C2	H6	119.286
N1	C5	C4	111.413	N1	C5	H9	121.895
C2	N1	C5	103.135	C2	N3	C4	103.891
N3	C2	H6	123.171	N3	C4	C5	104.017
N3	C4	H7	109.905	N3	C4	H8	109.905
C4	C5	H9	126.692	C5	C4	H7	112.737
C5	C4	H8	112.737	H7	C4	H8	107.512

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

using model chemistry: MP2/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 (4H-Imidazole)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

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