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	hartrees
Energy at 0K	-225.812948
Energy at 298.15K	-225.818980
HF Energy	-224.804504
Nuclear repulsion energy	166.990833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3260	3123
2	A₁	3103	2973
3	A₁	1701	1630
4	A₁	1437	1377
5	A₁	1409	1350
6	A₁	1264	1211
7	A₁	1042	998
8	A₁	937	898
9	A₂	1172	1122
10	A₂	927	888
11	A₂	541	518
12	B₁	3138	3006
13	B₁	1027	983
14	B₁	833	798
15	B₁	361	346
16	B₂	3242	3106
17	B₂	1762	1688
18	B₂	1410	1351
19	B₂	1262	1209
20	B₂	1091	1045
21	B₂	938	898

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.202
N2	0.000	0.997	0.281
N3	0.000	-0.997	0.281
C4	0.000	0.725	-0.945
C5	0.000	-0.725	-0.945
H6	-0.892	0.000	1.822
H7	0.892	0.000	1.822
H8	0.000	1.466	-1.724
H9	0.000	-1.466	-1.724

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3568	1.3568	2.2660	2.2660	1.0870	1.0870	3.2724	3.2724
N2	1.3568		1.9937	1.2560	2.1142	2.0409	2.0409	2.0593	3.1760
N3	1.3568	1.9937		2.1142	1.2560	2.0409	2.0409	3.1760	2.0593
C4	2.2660	1.2560	2.1142		1.4508	2.9970	2.9970	1.0749	2.3259
C5	2.2660	2.1142	1.2560	1.4508		2.9970	2.9970	2.3259	1.0749
H6	1.0870	2.0409	2.0409	2.9970	2.9970		1.7844	3.9399	3.9399
H7	1.0870	2.0409	2.0409	2.9970	2.9970	1.7844		3.9399	3.9399
H8	3.2724	2.0593	3.1760	1.0749	2.3259	3.9399	3.9399		2.9324
H9	3.2724	3.1760	2.0593	2.3259	1.0749	3.9399	3.9399	2.9324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.238	C1	N3	C5	120.238
N2	C1	N3	94.562	N2	C1	H6	112.798
N2	C1	H7	112.798	N2	C4	C5	102.481
N2	C4	H8	123.952	N3	C1	H6	112.798
N3	C1	H7	112.798	N3	C5	C4	102.481
N3	C5	H9	123.952	C4	C5	H9	133.568
C5	C4	H8	133.568	H6	C1	H7	110.335

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

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

States and conformations

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