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	hartrees
Energy at 0K	-223.914437
Energy at 298.15K	-223.920450
HF Energy	-223.434158
Nuclear repulsion energy	164.766510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3119	8.10
2	A₁	3129	2966	0.48
3	A₁	1634	1549	28.74
4	A₁	1508	1429	7.57
5	A₁	1360	1290	0.22
6	A₁	1240	1176	5.87
7	A₁	1023	970	17.01
8	A₁	879	833	5.29
9	A₂	1193	1131	0.00
10	A₂	883	837	0.00
11	A₂	571	542	0.00
12	B₁	3181	3016	0.05
13	B₁	1048	994	18.37
14	B₁	833	790	12.98
15	B₁	369	349	44.17
16	B₂	3274	3103	10.52
17	B₂	1668	1581	0.59
18	B₂	1338	1269	7.87
19	B₂	1284	1217	3.16
20	B₂	1066	1010	26.65
21	B₂	978	927	84.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.230
N2	0.000	0.999	0.284
N3	0.000	-0.999	0.284
C4	0.000	0.744	-0.963
C5	0.000	-0.744	-0.963
H6	-0.902	0.000	1.845
H7	0.902	0.000	1.845
H8	0.000	1.481	-1.750
H9	0.000	-1.481	-1.750

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3753	1.3753	2.3154	2.3154	1.0918	1.0918	3.3277	3.3277
N2	1.3753		1.9971	1.2727	2.1425	2.0607	2.0607	2.0909	3.2070
N3	1.3753	1.9971		2.1425	1.2727	2.0607	2.0607	3.2070	2.0909
C4	2.3154	1.2727	2.1425		1.4875	3.0414	3.0414	1.0785	2.3596
C5	2.3154	2.1425	1.2727	1.4875		3.0414	3.0414	2.3596	1.0785
H6	1.0918	2.0607	2.0607	3.0414	3.0414		1.8042	3.9914	3.9914
H7	1.0918	2.0607	2.0607	3.0414	3.0414	1.8042		3.9914	3.9914
H8	3.3277	2.0909	3.2070	1.0785	2.3596	3.9914	3.9914		2.9611
H9	3.3277	3.2070	2.0909	2.3596	1.0785	3.9914	3.9914	2.9611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.896	C1	N3	C5	121.896
N2	C1	N3	93.113	N2	C1	H6	112.790
N2	C1	H7	112.790	N2	C4	C5	101.547
N2	C4	H8	125.362	N3	C1	H6	112.790
N3	C1	H7	112.790	N3	C5	C4	101.547
N3	C5	H9	125.362	C4	C5	H9	133.091
C5	C4	H8	133.091	H6	C1	H7	111.429

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)

using model chemistry: MP2=FULL/3-21G*

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 (2H-Imidazole)

using model chemistry: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)