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	hartrees
Energy at 0K	-225.890300
Energy at 298.15K	-225.896233
HF Energy	-224.872763
Nuclear repulsion energy	160.754571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3244	3123
2	A'	3224	3104
3	A'	3071	2957
4	A'	1610	1550
5	A'	1521	1465
6	A'	1418	1365
7	A'	1326	1277
8	A'	1310	1262
9	A'	1266	1219
10	A'	1036	997
11	A'	1000	963
12	A'	952	917
13	A'	875	843
14	A'	872	840
15	A"	3100	2985
16	A"	1169	1125
17	A"	1009	972
18	A"	970	934
19	A"	761	733
20	A"	562	542
21	A"	369	356

Atom	x (Å)	y (Å)	z (Å)
N1	-1.202	0.360	0.000
C2	0.000	1.135	0.000
N3	1.120	0.502	0.000
C4	0.730	-0.902	0.000
C5	-0.763	-0.855	0.000
H6	-0.070	2.210	0.000
H7	1.132	-1.407	0.879
H8	1.132	-1.407	-0.879
H9	-1.426	-1.704	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4299	2.3261	2.3073	1.2918	2.1683	3.0561	3.0561	2.0767
C2	1.4299		1.2867	2.1638	2.1310	1.0767	2.9181	2.9181	3.1775
N3	2.3261	1.2867		1.4570	2.3206	2.0813	2.1015	2.1015	3.3691
C4	2.3073	2.1638	1.4570		1.4933	3.2125	1.0905	1.0905	2.3005
C5	1.2918	2.1310	2.3206	1.4933		3.1417	2.1601	2.1601	1.0780
H6	2.1683	1.0767	2.0813	3.2125	3.1417		3.9109	3.9109	4.1423
H7	3.0561	2.9181	2.1015	1.0905	2.1601	3.9109		1.7582	2.7210
H8	3.0561	2.9181	2.1015	1.0905	2.1601	3.9109	1.7582		2.7210
H9	2.0767	3.1775	3.3691	2.3005	1.0780	4.1423	2.7210	2.7210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.702	N1	C2	H6	119.107
N1	C5	C4	111.678	N1	C5	H9	122.142
C2	N1	C5	102.949	C2	N3	C4	103.945
N3	C2	H6	123.191	N3	C4	C5	103.726
N3	C4	H7	110.332	N3	C4	H8	110.332
C4	C5	H9	126.180	C5	C4	H7	112.514
C5	C4	H8	112.514	H7	C4	H8	107.434

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

using model chemistry: MP4=FULL/cc-pVTZ

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: MP4=FULL/cc-pVTZ

States and conformations

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