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	hartrees
Energy at 0K	-225.691205
Energy at 298.15K	-225.697204
HF Energy	-224.806943
Nuclear repulsion energy	166.676899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3117	8.16
2	A₁	3105	2959	2.29
3	A₁	1647	1569	22.60
4	A₁	1419	1352	5.95
5	A₁	1390	1324	23.89
6	A₁	1257	1197	3.95
7	A₁	1044	995	0.33
8	A₁	926	883	9.85
9	A₂	1151	1097	0.00
10	A₂	915	872	0.00
11	A₂	538	513	0.00
12	B₁	3160	3011	3.33
13	B₁	1003	956	23.04
14	B₁	827	788	4.64
15	B₁	352	335	35.76
16	B₂	3258	3104	1.27
17	B₂	1720	1639	0.01
18	B₂	1383	1318	35.27
19	B₂	1242	1184	1.58
20	B₂	1085	1034	36.83
21	B₂	932	889	59.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.203
N2	0.000	0.997	0.284
N3	0.000	-0.997	0.284
C4	0.000	0.724	-0.950
C5	0.000	-0.724	-0.950
H6	-0.895	0.000	1.825
H7	0.895	0.000	1.825
H8	0.000	1.472	-1.726
H9	0.000	-1.472	-1.726

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3559	1.3559	2.2714	2.2714	1.0901	1.0901	3.2789	3.2789
N2	1.3559		1.9935	1.2633	2.1175	2.0420	2.0420	2.0660	3.1842
N3	1.3559	1.9935		2.1175	1.2633	2.0420	2.0420	3.1842	2.0660
C4	2.2714	1.2633	2.1175		1.4486	3.0042	3.0042	1.0786	2.3301
C5	2.2714	2.1175	1.2633	1.4486		3.0042	3.0042	2.3301	1.0786
H6	1.0901	2.0420	2.0420	3.0042	3.0042		1.7905	3.9475	3.9475
H7	1.0901	2.0420	2.0420	3.0042	3.0042	1.7905		3.9475	3.9475
H8	3.2789	2.0660	3.1842	1.0786	2.3301	3.9475	3.9475		2.9449
H9	3.2789	3.1842	2.0660	2.3301	1.0786	3.9475	3.9475	2.9449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.229	C1	N3	C5	120.229
N2	C1	N3	94.634	N2	C1	H6	112.753
N2	C1	H7	112.753	N2	C4	C5	102.454
N2	C4	H8	123.625	N3	C1	H6	112.753
N3	C1	H7	112.753	N3	C5	C4	102.454
N3	C5	H9	123.625	C4	C5	H9	133.921
C5	C4	H8	133.921	H6	C1	H7	110.432

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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