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	hartrees
Energy at 0K	-225.851826
Energy at 298.15K	-225.857882
HF Energy	-224.894816
Nuclear repulsion energy	163.920381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3703	3515	76.00
2	A'	3335	3166	0.51
3	A'	3311	3143	0.66
4	A'	3303	3135	2.59
5	A'	1551	1473	6.47
6	A'	1523	1446	17.78
7	A'	1476	1402	14.19
8	A'	1384	1314	7.26
9	A'	1293	1227	0.82
10	A'	1199	1139	3.46
11	A'	1162	1104	2.85
12	A'	1113	1056	27.29
13	A'	1096	1040	23.02
14	A'	943	895	1.54
15	A'	905	859	7.39
16	A"	884	839	6.90
17	A"	825	784	37.42
18	A"	747	710	30.07
19	A"	693	658	0.50
20	A"	662	628	21.04
21	A"	576	547	81.28

Atom	x (Å)	y (Å)
N1	0.000	1.098
C2	-1.085	0.283
C3	1.112	0.304
N4	-0.736	-0.987
C5	0.631	-0.980
H6	-0.012	2.101
H7	-2.088	0.661
H8	2.104	0.705
H9	1.198	-1.888

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3573	1.3662	2.2112	2.1718	1.0028	2.1328	2.1401	3.2181
C2	1.3573		2.1972	1.3169	2.1306	2.1112	1.0713	3.2167	3.1509
C3	1.3662	2.1972		2.2544	1.3714	2.1191	3.2193	1.0697	2.1946
N4	2.2112	1.3169	2.2544		1.3670	3.1716	2.1312	3.3056	2.1340
C5	2.1718	2.1306	1.3714	1.3670		3.1471	3.1753	2.2380	1.0711
H6	1.0028	2.1112	2.1191	3.1716	3.1471		2.5262	2.5345	4.1689
H7	2.1328	1.0713	3.2193	2.1312	3.1753	2.5262		4.1915	4.1588
H8	2.1401	3.2167	1.0697	3.3056	2.2380	2.5345	4.1915		2.7472
H9	3.2181	3.1509	2.1946	2.1340	1.0711	4.1689	4.1588	2.7472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.547	N1	C2	H7	122.415
N1	C3	C5	104.988	N1	C3	H8	122.475
C2	N1	C3	107.558	C2	N1	H6	126.241
C2	N4	C5	105.080	C3	N1	H6	126.201
C3	C5	N4	110.826	C3	C5	H9	127.491
N4	C2	H7	126.038	N4	C5	H9	121.684
C5	C3	H8	132.537

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

using model chemistry: MP2=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 (1H-Imidazole)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

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