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	hartrees
Energy at 0K	-225.649504
Energy at 298.15K	-225.655486
HF Energy	-224.794896
Nuclear repulsion energy	167.132398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3092	9.90
2	A₁	3138	2930	0.04
3	A₁	1754	1637	22.68
4	A₁	1465	1368	2.82
5	A₁	1435	1340	21.35
6	A₁	1279	1194	2.52
7	A₁	1062	991	1.08
8	A₁	957	894	13.03
9	A₂	1176	1098	0.00
10	A₂	849	793	0.00
11	A₂	530	495	0.00
12	B₁	3186	2975	0.06
13	B₁	1045	976	22.09
14	B₁	824	769	6.91
15	B₁	325	304	36.46
16	B₂	3296	3078	4.39
17	B₂	1821	1700	0.02
18	B₂	1449	1353	33.40
19	B₂	1293	1207	1.73
20	B₂	1111	1038	36.17
21	B₂	949	887	57.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.201
N2	0.000	0.997	0.279
N3	0.000	-0.997	0.279
C4	0.000	0.725	-0.942
C5	0.000	-0.725	-0.942
H6	-0.894	0.000	1.822
H7	0.894	0.000	1.822
H8	0.000	1.464	-1.725
H9	0.000	-1.464	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3584	1.3584	2.2631	2.2631	1.0882	1.0882	3.2723	3.2723
N2	1.3584		1.9940	1.2509	2.1113	2.0431	2.0431	2.0575	3.1738
N3	1.3584	1.9940		2.1113	1.2509	2.0431	2.0431	3.1738	2.0575
C4	2.2631	1.2509	2.1113		1.4508	2.9943	2.9943	1.0764	2.3253
C5	2.2631	2.1113	1.2509	1.4508		2.9943	2.9943	2.3253	1.0764
H6	1.0882	2.0431	2.0431	2.9943	2.9943		1.7879	3.9400	3.9400
H7	1.0882	2.0431	2.0431	2.9943	2.9943	1.7879		3.9400	3.9400
H8	3.2723	2.0575	3.1738	1.0764	2.3253	3.9400	3.9400		2.9285
H9	3.2723	3.1738	2.0575	2.3253	1.0764	3.9400	3.9400	2.9285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.241	C1	N3	C5	120.241
N2	C1	N3	94.438	N2	C1	H6	112.785
N2	C1	H7	112.785	N2	C4	C5	102.540
N2	C4	H8	124.115	N3	C1	H6	112.785
N3	C1	H7	112.785	N3	C5	C4	102.540
N3	C5	H9	124.115	C4	C5	H9	133.346
C5	C4	H8	133.346	H6	C1	H7	110.474

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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