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	hartrees
Energy at 0K	-225.533488
Energy at 298.15K	-225.539457
HF Energy	-224.795685
Nuclear repulsion energy	160.605300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3088	12.20
2	A'	3268	3067	6.83
3	A'	3114	2921	1.11
4	A'	1730	1624	29.84
5	A'	1650	1549	8.94
6	A'	1483	1391	16.00
7	A'	1371	1286	22.53
8	A'	1359	1275	7.40
9	A'	1318	1237	3.98
10	A'	1069	1003	55.47
11	A'	1033	969	8.04
12	A'	983	922	2.01
13	A'	902	847	7.89
14	A'	895	840	9.31
15	A"	3157	2962	1.70
16	A"	1198	1124	0.26
17	A"	1035	971	14.93
18	A"	969	909	0.03
19	A"	781	733	7.31
20	A"	572	537	23.01
21	A"	375	352	6.80

Atom	x (Å)	y (Å)	z (Å)
N1	-1.201	0.352	0.000
C2	0.000	1.139	0.000
N3	1.114	0.508	0.000
C4	0.738	-0.901	0.000
C5	-0.767	-0.857	0.000
H6	-0.078	2.221	0.000
H7	1.148	-1.405	0.883
H8	1.148	-1.405	-0.883
H9	-1.430	-1.718	0.000

	N1	C2	N3	C4	C5	H6	H7	H8	H9
N1		1.4359	2.3205	2.3092	1.2847	2.1805	3.0642	3.0642	2.0831
C2	1.4359		1.2799	2.1691	2.1380	1.0855	2.9275	2.9275	3.1949
N3	2.3205	1.2799		1.4586	2.3243	2.0871	2.1080	2.1080	3.3807
C4	2.3092	2.1691	1.4586		1.5060	3.2273	1.0968	1.0968	2.3171
C5	1.2847	2.1380	2.3243	1.5060		3.1544	2.1794	2.1794	1.0869
H6	2.1805	1.0855	2.0871	3.2273	3.1544		3.9290	3.9290	4.1651
H7	3.0642	2.9275	2.1080	1.0968	2.1794	3.9290		1.7668	2.7432
H8	3.0642	2.9275	2.1080	1.0968	2.1794	3.9290	1.7668		2.7432
H9	2.0831	3.1949	3.3807	2.3171	1.0869	4.1651	2.7432	2.7432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N3	117.285	N1	C2	H6	119.069
N1	C5	C4	111.429	N1	C5	H9	122.671
C2	N1	C5	103.458	C2	N3	C4	104.575
N3	C2	H6	123.646	N3	C4	C5	103.252
N3	C4	H7	110.363	N3	C4	H8	110.363
C4	C5	H9	125.900	C5	C4	H7	112.778
C5	C4	H8	112.778	H7	C4	H8	107.313

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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