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	hartrees
Energy at 0K	-225.474527
Energy at 298.15K	-225.480470
HF Energy	-224.722260
Nuclear repulsion energy	165.966652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3251	3128
2	A₁	3084	2967
3	A₁	1717	1652
4	A₁	1470	1415
5	A₁	1419	1365
6	A₁	1275	1227
7	A₁	1050	1010
8	A₁	941	906
9	A₂	1159	1115
10	A₂	847	815
11	A₂	523	503
12	B₁	3131	3012
13	B₁	1030	991
14	B₁	803	772
15	B₁	346	333
16	B₂	3237	3114
17	B₂	1774	1707
18	B₂	1421	1367
19	B₂	1258	1210
20	B₂	1094	1052
21	B₂	936	901

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		1.3626	1.3626	2.2847	2.2847	1.0977	1.0977	3.3000	3.3000
N2	1.3626		1.9949	1.2660	2.1235	2.0565	2.0565	2.0774	3.1982
N3	1.3626	1.9949		2.1235	1.2660	2.0565	2.0565	3.1982	2.0774
C4	2.2847	1.2660	2.1235		1.4570	3.0247	3.0247	1.0867	2.3451
C5	2.2847	2.1235	1.2660	1.4570		3.0247	3.0247	2.3451	1.0867
H6	1.0977	2.0565	2.0565	3.0247	3.0247		1.7995	3.9753	3.9753
H7	1.0977	2.0565	2.0565	3.0247	3.0247	1.7995		3.9753	3.9753
H8	3.3000	2.0774	3.1982	1.0867	2.3451	3.9753	3.9753		2.9641
H9	3.3000	3.1982	2.0774	2.3451	1.0867	3.9753	3.9753	2.9641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.681	C1	N3	C5	120.681
N2	C1	N3	94.111	N2	C1	H6	112.973
N2	C1	H7	112.973	N2	C4	C5	102.263
N2	C4	H8	123.834	N3	C1	H6	112.973
N3	C1	H7	112.973	N3	C5	C4	102.263
N3	C5	H9	123.834	C4	C5	H9	133.902
C5	C4	H8	133.902	H6	C1	H7	110.097

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

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

States and conformations

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