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	hartrees
Energy at 0K	-225.573792
Energy at 298.15K	-225.579751
HF Energy	-224.836054
Nuclear repulsion energy	160.162879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3080	16.85
2	A₁	3100	2946	0.68
3	A₁	1505	1431	8.88
4	A₁	1432	1361	16.44
5	A₁	1352	1285	12.17
6	A₁	1012	962	0.94
7	A₁	997	947	1.66
8	A₁	842	801	5.50
9	A₂	1194	1135	0.00
10	A₂	947	900	0.00
11	A₂	569	541	0.00
12	B₁	3154	2997	0.89
13	B₁	1024	973	29.31
14	B₁	826	785	3.49
15	B₁	382	363	30.26
16	B₂	3228	3068	7.67
17	B₂	1602	1522	0.00
18	B₂	1298	1233	0.52
19	B₂	1278	1214	0.01
20	B₂	994	945	64.16
21	B₂	906	861	12.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.149
N2	0.000	1.091	0.286
N3	0.000	-1.091	0.286
C4	0.000	0.746	-0.916
C5	0.000	-0.746	-0.916
H6	-0.888	0.000	1.775
H7	0.888	0.000	1.775
H8	0.000	1.456	-1.726
H9	0.000	-1.456	-1.726

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3912	1.3912	2.1962	2.1962	1.0866	1.0866	3.2230	3.2230
N2	1.3912		2.1820	1.2507	2.1957	2.0486	2.0486	2.0451	3.2458
N3	1.3912	2.1820		2.1957	1.2507	2.0486	2.0486	3.2458	2.0451
C4	2.1962	1.2507	2.1957		1.4926	2.9307	2.9307	1.0768	2.3463
C5	2.1962	2.1957	1.2507	1.4926		2.9307	2.9307	2.3463	1.0768
H6	1.0866	2.0486	2.0486	2.9307	2.9307		1.7767	3.8945	3.8945
H7	1.0866	2.0486	2.0486	2.9307	2.9307	1.7767		3.8945	3.8945
H8	3.2230	2.0451	3.2458	1.0768	2.3463	3.8945	3.8945		2.9116
H9	3.2230	3.2458	2.0451	2.3463	1.0768	3.8945	3.8945	2.9116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	112.352	C1	N3	C5	112.352
N2	C1	N3	103.297	N2	C1	H6	110.936
N2	C1	H7	110.936	N2	C4	C5	106.000
N2	C4	H8	122.785	N3	C1	H6	110.936
N3	C1	H7	110.936	N3	C5	C4	106.000
N3	C5	H9	122.785	C4	C5	H9	131.215
C5	C4	H8	131.215	H6	C1	H7	109.678

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

using model chemistry: MP2/6-311G*

States and conformations

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