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	hartrees
Energy at 0K	-225.552695
Energy at 298.15K	-225.558703
HF Energy	-224.775796
Nuclear repulsion energy	166.331033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3109	12.13
2	A₁	3106	2963	1.00
3	A₁	1741	1661	25.09
4	A₁	1462	1395	5.39
5	A₁	1415	1350	10.86
6	A₁	1269	1210	4.04
7	A₁	1042	994	1.76
8	A₁	937	894	15.70
9	A₂	1172	1119	0.00
10	A₂	902	860	0.00
11	A₂	535	510	0.00
12	B₁	3153	3009	0.30
13	B₁	1041	993	22.37
14	B₁	829	791	6.73
15	B₁	347	331	34.22
16	B₂	3244	3095	6.27
17	B₂	1793	1710	0.08
18	B₂	1428	1363	38.64
19	B₂	1260	1202	4.46
20	B₂	1099	1048	30.85
21	B₂	940	897	62.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.208
N2	0.000	0.997	0.281
N3	0.000	-0.997	0.281
C4	0.000	0.732	-0.948
C5	0.000	-0.732	-0.948
H6	-0.899	0.000	1.832
H7	0.899	0.000	1.832
H8	0.000	1.481	-1.731
H9	0.000	-1.481	-1.731

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3620	1.3620	2.2773	2.2773	1.0939	1.0939	3.2914	3.2914
N2	1.3620		1.9947	1.2572	2.1217	2.0515	2.0515	2.0691	3.1923
N3	1.3620	1.9947		2.1217	1.2572	2.0515	2.0515	3.1923	2.0691
C4	2.2773	1.2572	2.1217		1.4645	3.0120	3.0120	1.0834	2.3478
C5	2.2773	2.1217	1.2572	1.4645		3.0120	3.0120	2.3478	1.0834
H6	1.0939	2.0515	2.0515	3.0120	3.0120		1.7976	3.9618	3.9618
H7	1.0939	2.0515	2.0515	3.0120	3.0120	1.7976		3.9618	3.9618
H8	3.2914	2.0691	3.1923	1.0834	2.3478	3.9618	3.9618		2.9625
H9	3.2914	3.1923	2.0691	2.3478	1.0834	3.9618	3.9618	2.9625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.747	C1	N3	C5	120.747
N2	C1	N3	94.158	N2	C1	H6	112.843
N2	C1	H7	112.843	N2	C4	C5	102.174
N2	C4	H8	124.093	N3	C1	H6	112.843
N3	C1	H7	112.843	N3	C5	C4	102.174
N3	C5	H9	124.093	C4	C5	H9	133.733
C5	C4	H8	133.733	H6	C1	H7	110.490

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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