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	hartrees
Energy at 0K	-225.852362
Energy at 298.15K	-225.858360
HF Energy	-224.803275
Nuclear repulsion energy	166.716576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3249	3249
2	A₁	3090	3090
3	A₁	1691	1691
4	A₁	1434	1434
5	A₁	1403	1403
6	A₁	1257	1257
7	A₁	1039	1039
8	A₁	935	935
9	A₂	1163	1163
10	A₂	905	905
11	A₂	534	534
12	B₁	3136	3136
13	B₁	1016	1016
14	B₁	821	821
15	B₁	353	353
16	B₂	3235	3235
17	B₂	1754	1754
18	B₂	1406	1406
19	B₂	1255	1255
20	B₂	1088	1088
21	B₂	933	933

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.204
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.726	-0.947
C5	0.000	-0.726	-0.947
H6	-0.894	0.000	1.828
H7	0.894	0.000	1.828
H8	0.000	1.473	-1.727
H9	0.000	-1.473	-1.727

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3582	1.3582	2.2704	2.2704	1.0905	1.0905	3.2805	3.2805
N2	1.3582		1.9940	1.2581	2.1165	2.0458	2.0458	2.0645	3.1835
N3	1.3582	1.9940		2.1165	1.2581	2.0458	2.0458	3.1835	2.0645
C4	2.2704	1.2581	2.1165		1.4528	3.0049	3.0049	1.0796	2.3333
C5	2.2704	2.1165	1.2581	1.4528		3.0049	3.0049	2.3333	1.0796
H6	1.0905	2.0458	2.0458	3.0049	3.0049		1.7885	3.9510	3.9510
H7	1.0905	2.0458	2.0458	3.0049	3.0049	1.7885		3.9510	3.9510
H8	3.2805	2.0645	3.1835	1.0796	2.3333	3.9510	3.9510		2.9451
H9	3.2805	3.1835	2.0645	2.3333	1.0796	3.9510	3.9510	2.9451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.355	C1	N3	C5	120.355
N2	C1	N3	94.452	N2	C1	H6	112.873
N2	C1	H7	112.873	N2	C4	C5	102.419
N2	C4	H8	123.865	N3	C1	H6	112.873
N3	C1	H7	112.873	N3	C5	C4	102.419
N3	C5	H9	123.865	C4	C5	H9	133.716
C5	C4	H8	133.716	H6	C1	H7	110.170

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

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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