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	hartrees
Energy at 0K	-225.598959
Energy at 298.15K	-225.604866
HF Energy	-224.856829
Nuclear repulsion energy	162.878156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3698	3514	63.15
2	A'	3309	3144	1.56
3	A'	3287	3123	1.11
4	A'	3282	3119	4.33
5	A'	1550	1473	10.62
6	A'	1517	1442	18.06
7	A'	1482	1409	15.82
8	A'	1378	1310	8.19
9	A'	1282	1219	0.99
10	A'	1194	1135	3.50
11	A'	1165	1107	2.40
12	A'	1114	1058	31.34
13	A'	1093	1038	24.36
14	A'	942	895	2.42
15	A'	903	858	7.25
16	A"	807	767	23.80
17	A"	771	733	50.80
18	A"	684	650	5.28
19	A"	679	645	17.84
20	A"	641	609	35.11
21	A"	513	488	83.70

Atom	x (Å)	y (Å)
N1	-0.743	-0.994
H2	-0.009	2.115
C3	1.120	0.307
H4	2.119	0.716
C5	0.635	-0.985
H6	1.199	-1.906
H7	-2.102	0.661
C8	-1.089	0.281
N9	0.000	1.107

	N1	H2	C3	H4	C5	H6	H7	C8	N9
N1		3.1941	2.2719	3.3337	1.3775	2.1457	2.1418	1.3214	2.2289
H2	3.1941		2.1308	2.5468	3.1652	4.1985	2.5474	2.1278	1.0072
C3	2.2719	2.1308		1.0797	1.3797	2.2148	3.2404	2.2087	1.3760
H4	3.3337	2.5468	1.0797		2.2570	2.7785	4.2209	3.2374	2.1549
C5	1.3775	3.1652	1.3797	2.2570		1.0809	3.1931	2.1384	2.1860
H6	2.1457	4.1985	2.2148	2.7785	1.0809		4.1820	3.1656	3.2434
H7	2.1418	2.5474	3.2404	4.2209	3.1931	4.1820		1.0815	2.1483
C8	1.3214	2.1278	2.2087	3.2374	2.1384	3.1656	1.0815		1.3670
N9	2.2289	1.0072	1.3760	2.1549	2.1860	3.2434	2.1483	1.3670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	69.960	N1	C2	H7	41.943
N1	C3	C5	34.480	N1	C3	H8	34.268
C2	N1	C3	41.776	C2	N1	H6	101.877
C2	N4	C5	82.194	C3	N1	H6	60.100
C3	C5	N4	20.549	C3	C5	H9	37.451
N4	C2	H7	111.903	N4	C5	H9	58.000
C5	C3	H8	68.749

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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