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	hartrees
Energy at 0K	-225.533079
Energy at 298.15K	-225.539018
HF Energy	-224.812382
Nuclear repulsion energy	163.164908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3729	3500	74.14
2	A'	3345	3139	1.64
3	A'	3319	3115	0.92
4	A'	3316	3112	5.48
5	A'	1623	1524	12.61
6	A'	1571	1474	22.98
7	A'	1511	1418	24.10
8	A'	1420	1333	9.55
9	A'	1322	1241	0.83
10	A'	1196	1122	8.24
11	A'	1190	1117	0.74
12	A'	1139	1069	15.81
13	A'	1114	1045	37.95
14	A'	961	902	1.82
15	A'	924	867	7.06
16	A"	836	785	7.34
17	A"	813	763	39.71
18	A"	715	671	26.12
19	A"	686	643	5.37
20	A"	641	602	22.59
21	A"	493	463	107.08

Atom	x (Å)	y (Å)
N1	0.000	1.107
C2	-1.088	0.281
C3	1.120	0.300
N4	-0.746	-0.986
C5	0.637	-0.984
H6	-0.012	2.116
H7	-2.102	0.661
H8	2.122	0.702
H9	1.199	-1.908

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3662	1.3808	2.2223	2.1863	1.0085	2.1485	2.1603	3.2451
C2	1.3662		2.2078	1.3121	2.1392	2.1271	1.0828	3.2373	3.1657
C3	1.3808	2.2078		2.2660	1.3713	2.1399	3.2418	1.0800	2.2091
N4	2.2223	1.3121	2.2660		1.3836	3.1874	2.1331	3.3281	2.1529
C5	2.1863	2.1392	1.3713	1.3836		3.1670	3.1952	2.2467	1.0814
H6	1.0085	2.1271	2.1399	3.1874	3.1670		2.5462	2.5595	4.2021
H7	2.1485	1.0828	3.2418	2.1331	3.1952	2.5462		4.2238	4.1829
H8	2.1603	3.2373	1.0800	3.3281	2.2467	2.5595	4.2238		2.7686
H9	3.2451	3.1657	2.2091	2.1529	1.0814	4.2021	4.1829	2.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.134	N1	C2	H7	122.211
N1	C3	C5	105.203	N1	C3	H8	122.305
C2	N1	C3	106.972	C2	N1	H6	126.555
C2	N4	C5	105.012	C3	N1	H6	126.473
C3	C5	N4	110.679	C3	C5	H9	128.101
N4	C2	H7	125.654	N4	C5	H9	121.220
C5	C3	H8	132.492

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

using model chemistry: MP3/6-31G*

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 (1H-Imidazole)

using model chemistry: MP3/6-31G*

States and conformations

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