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	hartrees
Energy at 0K	-225.475267
Energy at 298.15K	-225.481206
HF Energy	-224.722197
Nuclear repulsion energy	165.937597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3249	3117
2	A₁	3083	2957
3	A₁	1716	1646
4	A₁	1470	1410
5	A₁	1417	1359
6	A₁	1274	1222
7	A₁	1048	1005
8	A₁	939	901
9	A₂	1159	1112
10	A₂	844	809
11	A₂	520	499
12	B₁	3130	3003
13	B₁	1030	988
14	B₁	803	770
15	B₁	346	332
16	B₂	3235	3103
17	B₂	1772	1700
18	B₂	1420	1362
19	B₂	1257	1206
20	B₂	1093	1049
21	B₂	936	898

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.212
N2	0.000	0.997	0.283
N3	0.000	-0.997	0.283
C4	0.000	0.729	-0.954
C5	0.000	-0.729	-0.954
H6	-0.900	0.000	1.841
H7	0.900	0.000	1.841
H8	0.000	1.482	-1.737
H9	0.000	-1.482	-1.737

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3627	1.3627	2.2853	2.2853	1.0978	1.0978	3.3007	3.3007
N2	1.3627		1.9949	1.2662	2.1240	2.0567	2.0567	2.0780	3.1988
N3	1.3627	1.9949		2.1240	1.2662	2.0567	2.0567	3.1988	2.0780
C4	2.2853	1.2662	2.1240		1.4578	3.0253	3.0253	1.0868	2.3459
C5	2.2853	2.1240	1.2662	1.4578		3.0253	3.0253	2.3459	1.0868
H6	1.0978	2.0567	2.0567	3.0253	3.0253		1.7996	3.9761	3.9761
H7	1.0978	2.0567	2.0567	3.0253	3.0253	1.7996		3.9761	3.9761
H8	3.3007	2.0780	3.1988	1.0868	2.3459	3.9761	3.9761		2.9648
H9	3.3007	3.1988	2.0780	2.3459	1.0868	3.9761	3.9761	2.9648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.706	C1	N3	C5	120.706
N2	C1	N3	94.101	N2	C1	H6	112.977
N2	C1	H7	112.977	N2	C4	C5	102.244
N2	C4	H8	123.866	N3	C1	H6	112.977
N3	C1	H7	112.977	N3	C5	C4	102.244
N3	C5	H9	123.866	C4	C5	H9	133.891
C5	C4	H8	133.891	H6	C1	H7	110.092

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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