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	hartrees
Energy at 0K	-225.733590
Energy at 298.15K	-225.739585
HF Energy	-224.803531
Nuclear repulsion energy	166.496839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3243	3161
2	A₁	3084	3006
3	A₁	1690	1647
4	A₁	1428	1392
5	A₁	1398	1363
6	A₁	1256	1224
7	A₁	1032	1006
8	A₁	928	905
9	A₂	1157	1128
10	A₂	906	883
11	A₂	532	519
12	B₁	3129	3051
13	B₁	1015	990
14	B₁	822	801
15	B₁	352	343
16	B₂	3228	3147
17	B₂	1749	1705
18	B₂	1401	1365
19	B₂	1248	1217
20	B₂	1083	1056
21	B₂	931	907

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.206
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.729	-0.949
C5	0.000	-0.729	-0.949
H6	-0.895	0.000	1.830
H7	0.895	0.000	1.830
H8	0.000	1.476	-1.728
H9	0.000	-1.476	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3599	1.3599	2.2752	2.2752	1.0907	1.0907	3.2848	3.2848
N2	1.3599		1.9943	1.2597	2.1196	2.0476	2.0476	2.0660	3.1870
N3	1.3599	1.9943		2.1196	1.2597	2.0476	2.0476	3.1870	2.0660
C4	2.2752	1.2597	2.1196		1.4571	3.0092	3.0092	1.0798	2.3385
C5	2.2752	2.1196	1.2597	1.4571		3.0092	3.0092	2.3385	1.0798
H6	1.0907	2.0476	2.0476	3.0092	3.0092		1.7895	3.9548	3.9548
H7	1.0907	2.0476	2.0476	3.0092	3.0092	1.7895		3.9548	3.9548
H8	3.2848	2.0660	3.1870	1.0798	2.3385	3.9548	3.9548		2.9528
H9	3.2848	3.1870	2.0660	2.3385	1.0798	3.9548	3.9548	2.9528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.528	C1	N3	C5	120.528
N2	C1	N3	94.319	N2	C1	H6	112.885
N2	C1	H7	112.885	N2	C4	C5	102.312
N2	C4	H8	123.854	N3	C1	H6	112.885
N3	C1	H7	112.885	N3	C5	C4	102.312
N3	C5	H9	123.854	C4	C5	H9	133.834
C5	C4	H8	133.834	H6	C1	H7	110.233

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

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