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	hartrees
Energy at 0K	-225.471230
Energy at 298.15K	-225.477257
HF Energy	-224.731087
Nuclear repulsion energy	166.570938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3325	3117	11.64
2	A₁	3154	2957	0.97
3	A₁	1773	1663	23.25
4	A₁	1495	1402	3.67
5	A₁	1449	1358	10.57
6	A₁	1293	1213	2.94
7	A₁	1069	1002	1.29
8	A₁	960	900	13.95
9	A₂	1184	1110	0.00
10	A₂	898	842	0.00
11	A₂	541	507	0.00
12	B₁	3207	3007	0.59
13	B₁	1050	985	21.33
14	B₁	833	781	5.00
15	B₁	353	331	37.82
16	B₂	3309	3103	8.58
17	B₂	1834	1720	0.13
18	B₂	1461	1370	33.97
19	B₂	1289	1209	1.51
20	B₂	1113	1044	31.03
21	B₂	952	893	62.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.207
N2	0.000	0.997	0.281
N3	0.000	-0.997	0.281
C4	0.000	0.727	-0.948
C5	0.000	-0.727	-0.948
H6	-0.893	0.000	1.831
H7	0.893	0.000	1.831
H8	0.000	1.469	-1.731
H9	0.000	-1.469	-1.731

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3613	1.3613	2.2748	2.2748	1.0896	1.0896	3.2850	3.2850
N2	1.3613		1.9946	1.2580	2.1177	2.0486	2.0486	2.0661	3.1829
N3	1.3613	1.9946		2.1177	1.2580	2.0486	2.0486	3.1829	2.0661
C4	2.2748	1.2580	2.1177		1.4549	3.0086	3.0086	1.0786	2.3322
C5	2.2748	2.1177	1.2580	1.4549		3.0086	3.0086	2.3322	1.0786
H6	1.0896	2.0486	2.0486	3.0086	3.0086		1.7866	3.9554	3.9554
H7	1.0896	2.0486	2.0486	3.0086	3.0086	1.7866		3.9554	3.9554
H8	3.2850	2.0661	3.1829	1.0786	2.3322	3.9554	3.9554		2.9389
H9	3.2850	3.1829	2.0661	2.3322	1.0786	3.9554	3.9554	2.9389

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.508	C1	N3	C5	120.508
N2	C1	N3	94.211	N2	C1	H6	112.941
N2	C1	H7	112.941	N2	C4	C5	102.387
N2	C4	H8	124.143	N3	C1	H6	112.941
N3	C1	H7	112.941	N3	C5	C4	102.387
N3	C5	H9	124.143	C4	C5	H9	133.471
C5	C4	H8	133.471	H6	C1	H7	110.129

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

using model chemistry: CCD/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 (2H-Imidazole)

using model chemistry: CCD/6-31G**

States and conformations

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