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	hartrees
Energy at 0K	-225.093665
Energy at 298.15K	-225.099680
HF Energy	-224.599862
Nuclear repulsion energy	164.784255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3294	7.59
2	A₁	3109	3109	0.12
3	A₁	1708	1708	26.36
4	A₁	1505	1505	14.95
5	A₁	1408	1408	3.41
6	A₁	1269	1269	6.09
7	A₁	1048	1048	7.48
8	A₁	965	965	9.23
9	A₂	1169	1169	0.00
10	A₂	811	811	0.00
11	A₂	547	547	0.00
12	B₁	3156	3156	0.05
13	B₁	1068	1068	18.93
14	B₁	797	797	15.33
15	B₁	378	378	49.18
16	B₂	3277	3277	7.27
17	B₂	1767	1767	0.65
18	B₂	1403	1403	12.38
19	B₂	1288	1288	3.40
20	B₂	1093	1093	34.70
21	B₂	976	976	68.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.230
N2	0.000	0.999	0.283
N3	0.000	-0.999	0.283
C4	0.000	0.738	-0.964
C5	0.000	-0.738	-0.964
H6	-0.898	0.000	1.857
H7	0.898	0.000	1.857
H8	0.000	1.486	-1.747
H9	0.000	-1.486	-1.747

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3756	1.3756	2.3143	2.3143	1.0959	1.0959	3.3267	3.3267
N2	1.3756		1.9971	1.2743	2.1381	2.0691	2.0691	2.0880	3.2084
N3	1.3756	1.9971		2.1381	1.2743	2.0691	2.0691	3.2084	2.0880
C4	2.3143	1.2743	2.1381		1.4760	3.0513	3.0513	1.0827	2.3576
C5	2.3143	2.1381	1.2743	1.4760		3.0513	3.0513	2.3576	1.0827
H6	1.0959	2.0691	2.0691	3.0513	3.0513		1.7967	4.0005	4.0005
H7	1.0959	2.0691	2.0691	3.0513	3.0513	1.7967		4.0005	4.0005
H8	3.3267	2.0880	3.2084	1.0827	2.3576	4.0005	4.0005		2.9716
H9	3.3267	3.2084	2.0880	2.3576	1.0827	4.0005	4.0005	2.9716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.657	C1	N3	C5	121.657
N2	C1	N3	93.087	N2	C1	H6	113.199
N2	C1	H7	113.199	N2	C4	C5	101.799
N2	C4	H8	124.516	N3	C1	H6	113.199
N3	C1	H7	113.199	N3	C5	C4	101.799
N3	C5	H9	124.516	C4	C5	H9	133.685
C5	C4	H8	133.685	H6	C1	H7	110.120

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

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