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	hartrees
Energy at 0K	-225.749473
Energy at 298.15K	-225.755520
HF Energy	-224.804336
Nuclear repulsion energy	167.268667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3124	9.51
2	A₁	3130	2972	1.30
3	A₁	1669	1585	19.90
4	A₁	1427	1355	2.29
5	A₁	1401	1330	25.77
6	A₁	1268	1204	3.74
7	A₁	1055	1002	0.79
8	A₁	938	890	12.37
9	A₂	1163	1105	0.00
10	A₂	941	894	0.00
11	A₂	553	525	0.00
12	B₁	3174	3013	2.28
13	B₁	1017	965	22.59
14	B₁	839	796	4.19
15	B₁	365	346	36.19
16	B₂	3274	3108	2.77
17	B₂	1742	1654	0.02
18	B₂	1398	1327	33.18
19	B₂	1258	1194	0.47
20	B₂	1096	1040	36.06
21	B₂	941	893	66.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.197
N2	0.000	0.996	0.283
N3	0.000	-0.996	0.283
C4	0.000	0.721	-0.945
C5	0.000	-0.721	-0.945
H6	-0.891	0.000	1.818
H7	0.891	0.000	1.818
H8	0.000	1.461	-1.723
H9	0.000	-1.461	-1.723

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3523	1.3523	2.2600	2.2600	1.0856	1.0856	3.2650	3.2650
N2	1.3523		1.9926	1.2579	2.1112	2.0351	2.0351	2.0588	3.1718
N3	1.3523	1.9926		2.1112	1.2579	2.0351	2.0351	3.1718	2.0588
C4	2.2600	1.2579	2.1112		1.4427	2.9905	2.9905	1.0735	2.3168
C5	2.2600	2.1112	1.2579	1.4427		2.9905	2.9905	2.3168	1.0735
H6	1.0856	2.0351	2.0351	2.9905	2.9905		1.7820	3.9321	3.9321
H7	1.0856	2.0351	2.0351	2.9905	2.9905	1.7820		3.9321	3.9321
H8	3.2650	2.0588	3.1718	1.0735	2.3168	3.9321	3.9321		2.9215
H9	3.2650	3.1718	2.0588	2.3168	1.0735	3.9321	3.9321	2.9215

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	119.917	C1	N3	C5	119.917
N2	C1	N3	94.915	N2	C1	H6	112.724
N2	C1	H7	112.724	N2	C4	C5	102.626
N2	C4	H8	123.839	N3	C1	H6	112.724
N3	C1	H7	112.724	N3	C5	C4	102.626
N3	C5	H9	123.839	C4	C5	H9	133.534
C5	C4	H8	133.534	H6	C1	H7	110.314

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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