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	hartrees
Energy at 0K	-223.926663
Energy at 298.15K	-223.932704
HF Energy	-223.435479
Nuclear repulsion energy	165.127004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3286	7.08
2	A₁	3117	3117	0.01
3	A₁	1698	1698	26.44
4	A₁	1508	1508	8.74
5	A₁	1385	1385	1.14
6	A₁	1249	1249	5.16
7	A₁	1028	1028	17.79
8	A₁	914	914	5.63
9	A₂	1197	1197	0.00
10	A₂	886	886	0.00
11	A₂	570	570	0.00
12	B₁	3162	3162	0.02
13	B₁	1050	1050	20.21
14	B₁	836	836	12.79
15	B₁	374	374	43.40
16	B₂	3269	3269	11.42
17	B₂	1745	1745	0.61
18	B₂	1367	1367	10.19
19	B₂	1292	1292	2.64
20	B₂	1077	1077	29.44
21	B₂	989	989	79.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.227
N2	0.000	0.999	0.281
N3	0.000	-0.999	0.281
C4	0.000	0.742	-0.957
C5	0.000	-0.742	-0.957
H6	-0.902	0.000	1.845
H7	0.902	0.000	1.845
H8	0.000	1.476	-1.748
H9	0.000	-1.476	-1.748

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3759	1.3759	2.3077	2.3077	1.0928	1.0928	3.3219	3.3219
N2	1.3759		1.9971	1.2646	2.1366	2.0630	2.0630	2.0848	3.2004
N3	1.3759	1.9971		2.1366	1.2646	2.0630	2.0630	3.2004	2.0848
C4	2.3077	1.2646	2.1366		1.4850	3.0359	3.0359	1.0788	2.3554
C5	2.3077	2.1366	1.2646	1.4850		3.0359	3.0359	2.3554	1.0788
H6	1.0928	2.0630	2.0630	3.0359	3.0359		1.8035	3.9879	3.9879
H7	1.0928	2.0630	2.0630	3.0359	3.0359	1.8035		3.9879	3.9879
H8	3.3219	2.0848	3.2004	1.0788	2.3554	3.9879	3.9879		2.9522
H9	3.3219	3.2004	2.0848	2.3554	1.0788	3.9879	3.9879	2.9522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.785	C1	N3	C5	121.785
N2	C1	N3	93.064	N2	C1	H6	112.867
N2	C1	H7	112.867	N2	C4	C5	101.683
N2	C4	H8	125.471	N3	C1	H6	112.867
N3	C1	H7	112.867	N3	C5	C4	101.683
N3	C5	H9	125.471	C4	C5	H9	132.846
C5	C4	H8	132.846	H6	C1	H7	111.213

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

using model chemistry: MP3=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: MP3=FULL/3-21G*

States and conformations

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