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	hartrees
Energy at 0K	-225.693759
Energy at 298.15K	-225.699654
HF Energy	-224.793221
Nuclear repulsion energy	166.449912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3260	3117
2	A₁	3091	2955
3	A₁	1690	1616
4	A₁	1443	1379
5	A₁	1405	1344
6	A₁	1257	1202
7	A₁	1036	990
8	A₁	929	888
9	A₂	1154	1103
10	A₂	808	773
11	A₂	510	488
12	B₁	3140	3002
13	B₁	1027	981
14	B₁	797	762
15	B₁	310	296
16	B₂	3245	3103
17	B₂	1749	1672
18	B₂	1410	1348
19	B₂	1267	1211
20	B₂	1090	1042
21	B₂	929	888

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.208
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.728	-0.949
C5	0.000	-0.728	-0.949
H6	-0.897	0.000	1.829
H7	0.897	0.000	1.829
H8	0.000	1.474	-1.730
H9	0.000	-1.474	-1.730

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3610	1.3610	2.2767	2.2767	1.0915	1.0915	3.2871	3.2871
N2	1.3610		1.9945	1.2602	2.1193	2.0481	2.0481	2.0677	3.1866
N3	1.3610	1.9945		2.1193	1.2602	2.0481	2.0481	3.1866	2.0677
C4	2.2767	1.2602	2.1193		1.4556	3.0092	3.0092	1.0800	2.3360
C5	2.2767	2.1193	1.2602	1.4556		3.0092	3.0092	2.3360	1.0800
H6	1.0915	2.0481	2.0481	3.0092	3.0092		1.7949	3.9557	3.9557
H7	1.0915	2.0481	2.0481	3.0092	3.0092	1.7949		3.9557	3.9557
H8	3.2871	2.0677	3.1866	1.0800	2.3360	3.9557	3.9557		2.9477
H9	3.2871	3.1866	2.0677	2.3360	1.0800	3.9557	3.9557	2.9477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.537	C1	N3	C5	120.537
N2	C1	N3	94.232	N2	C1	H6	112.790
N2	C1	H7	112.790	N2	C4	C5	102.347
N2	C4	H8	123.963	N3	C1	H6	112.790
N3	C1	H7	112.790	N3	C5	C4	102.347
N3	C5	H9	123.963	C4	C5	H9	133.690
C5	C4	H8	133.690	H6	C1	H7	110.608

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/TZVP

States and conformations

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