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	hartrees
Energy at 0K	-225.074644
Energy at 298.15K	-225.080624
HF Energy	-224.598049
Nuclear repulsion energy	164.347594

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3155	8.74
2	A₁	3121	2986	1.05
3	A₁	1637	1567	29.05
4	A₁	1504	1439	14.65
5	A₁	1377	1318	1.03
6	A₁	1257	1203	7.20
7	A₁	1041	996	7.60
8	A₁	938	898	7.85
9	A₂	1163	1113	0.00
10	A₂	798	763	0.00
11	A₂	547	523	0.00
12	B₁	3177	3039	0.04
13	B₁	1066	1020	17.06
14	B₁	789	755	16.03
15	B₁	370	354	49.82
16	B₂	3281	3139	6.24
17	B₂	1683	1610	0.63
18	B₂	1367	1308	9.64
19	B₂	1278	1223	4.22
20	B₂	1080	1033	34.82
21	B₂	965	923	71.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.233
N2	0.000	0.999	0.287
N3	0.000	-0.999	0.287
C4	0.000	0.739	-0.970
C5	0.000	-0.739	-0.970
H6	-0.899	0.000	1.858
H7	0.899	0.000	1.858
H8	0.000	1.491	-1.748
H9	0.000	-1.491	-1.748

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3756	1.3756	2.3242	2.3242	1.0949	1.0949	3.3340	3.3340
N2	1.3756		1.9971	1.2840	2.1447	2.0671	2.0671	2.0945	3.2162
N3	1.3756	1.9971		2.1447	1.2840	2.0671	2.0671	3.2162	2.0945
C4	2.3242	1.2840	2.1447		1.4777	3.0584	3.0584	1.0825	2.3621
C5	2.3242	2.1447	1.2840	1.4777		3.0584	3.0584	2.3621	1.0825
H6	1.0949	2.0671	2.0671	3.0584	3.0584		1.7984	4.0049	4.0049
H7	1.0949	2.0671	2.0671	3.0584	3.0584	1.7984		4.0049	4.0049
H8	3.3340	2.0945	3.2162	1.0825	2.3621	4.0049	4.0049		2.9828
H9	3.3340	3.2162	2.0945	2.3621	1.0825	4.0049	4.0049	2.9828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.786	C1	N3	C5	121.786
N2	C1	N3	93.090	N2	C1	H6	113.105
N2	C1	H7	113.105	N2	C4	C5	101.669
N2	C4	H8	124.291	N3	C1	H6	113.105
N3	C1	H7	113.105	N3	C5	C4	101.669
N3	C5	H9	124.291	C4	C5	H9	134.041
C5	C4	H8	134.041	H6	C1	H7	110.423

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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