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	hartrees
Energy at 0K	-225.031495
Energy at 298.15K	-225.037610
HF Energy	-224.601678
Nuclear repulsion energy	165.414510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3352	3144	7.00
2	A₁	3167	2970	0.06
3	A₁	1754	1645	28.71
4	A₁	1534	1439	13.21
5	A₁	1433	1344	5.57
6	A₁	1286	1206	5.48
7	A₁	1068	1002	8.70
8	A₁	982	921	8.63
9	A₂	1201	1126	0.00
10	A₂	893	838	0.00
11	A₂	570	535	0.00
12	B₁	3216	3016	0.10
13	B₁	1095	1027	21.23
14	B₁	844	792	13.06
15	B₁	397	373	52.58
16	B₂	3335	3127	7.06
17	B₂	1813	1700	0.36
18	B₂	1431	1342	13.86
19	B₂	1316	1235	4.13
20	B₂	1113	1044	41.57
21	B₂	994	932	70.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.224
N2	0.000	0.998	0.281
N3	0.000	-0.998	0.281
C4	0.000	0.736	-0.958
C5	0.000	-0.736	-0.958
H6	-0.894	0.000	1.848
H7	0.894	0.000	1.848
H8	0.000	1.476	-1.741
H9	0.000	-1.476	-1.741

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3729	1.3729	2.3022	2.3022	1.0903	1.0903	3.3117	3.3117
N2	1.3729		1.9967	1.2664	2.1315	2.0614	2.0614	2.0779	3.1955
N3	1.3729	1.9967		2.1315	1.2664	2.0614	2.0614	3.1955	2.0779
C4	2.3022	1.2664	2.1315		1.4721	3.0349	3.0349	1.0775	2.3466
C5	2.3022	2.1315	1.2664	1.4721		3.0349	3.0349	2.3466	1.0775
H6	1.0903	2.0614	2.0614	3.0349	3.0349		1.7882	3.9819	3.9819
H7	1.0903	2.0614	2.0614	3.0349	3.0349	1.7882		3.9819	3.9819
H8	3.3117	2.0779	3.1955	1.0775	2.3466	3.9819	3.9819		2.9518
H9	3.3117	3.1955	2.0779	2.3466	1.0775	3.9819	3.9819	2.9518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.396	C1	N3	C5	121.396
N2	C1	N3	93.304	N2	C1	H6	113.130
N2	C1	H7	113.130	N2	C4	C5	101.952
N2	C4	H8	124.684	N3	C1	H6	113.130
N3	C1	H7	113.130	N3	C5	C4	101.952
N3	C5	H9	124.684	C4	C5	H9	133.364
C5	C4	H8	133.364	H6	C1	H7	110.182

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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