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	hartrees
Energy at 0K	-225.604638
Energy at 298.15K	-225.610517
HF Energy	-224.792935
Nuclear repulsion energy	166.333847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3259	3139
2	A₁	3091	2977
3	A₁	1687	1625
4	A₁	1443	1389
5	A₁	1403	1351
6	A₁	1256	1209
7	A₁	1033	995
8	A₁	926	892
9	A₂	1151	1109
10	A₂	797	767
11	A₂	503	485
12	B₁	3140	3024
13	B₁	1026	988
14	B₁	793	764
15	B₁	307	295
16	B₂	3245	3125
17	B₂	1745	1681
18	B₂	1407	1355
19	B₂	1264	1217
20	B₂	1088	1048
21	B₂	927	893

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.209
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.729	-0.950
C5	0.000	-0.729	-0.950
H6	-0.898	0.000	1.831
H7	0.898	0.000	1.831
H8	0.000	1.476	-1.731
H9	0.000	-1.476	-1.731

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3617	1.3617	2.2790	2.2790	1.0923	1.0923	3.2898	3.2898
N2	1.3617		1.9947	1.2612	2.1206	2.0493	2.0493	2.0691	3.1889
N3	1.3617	1.9947		2.1206	1.2612	2.0493	2.0493	3.1889	2.0691
C4	2.2790	1.2612	2.1206		1.4570	3.0118	3.0118	1.0808	2.3385
C5	2.2790	2.1206	1.2612	1.4570		3.0118	3.0118	2.3385	1.0808
H6	1.0923	2.0493	2.0493	3.0118	3.0118		1.7965	3.9586	3.9586
H7	1.0923	2.0493	2.0493	3.0118	3.0118	1.7965		3.9586	3.9586
H8	3.2898	2.0691	3.1889	1.0808	2.3385	3.9586	3.9586		2.9517
H9	3.2898	3.1889	2.0691	2.3385	1.0808	3.9586	3.9586	2.9517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.605	C1	N3	C5	120.605
N2	C1	N3	94.176	N2	C1	H6	112.792
N2	C1	H7	112.792	N2	C4	C5	102.307
N2	C4	H8	123.947	N3	C1	H6	112.792
N3	C1	H7	112.792	N3	C5	C4	102.307
N3	C5	H9	123.947	C4	C5	H9	133.746
C5	C4	H8	133.746	H6	C1	H7	110.645

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

using model chemistry: QCISD(T)/TZVP

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)/TZVP

States and conformations

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