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	hartrees
Energy at 0K	-223.866499
Energy at 298.15K	-223.872629
HF Energy	-223.436830
Nuclear repulsion energy	165.669075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3338	3142	6.67
2	A₁	3168	2982	0.00
3	A₁	1745	1642	27.74
4	A₁	1532	1442	7.51
5	A₁	1407	1324	2.43
6	A₁	1262	1188	4.36
7	A₁	1046	985	19.66
8	A₁	930	875	4.83
9	A₂	1223	1151	0.00
10	A₂	953	897	0.00
11	A₂	588	554	0.00
12	B₁	3215	3026	0.05
13	B₁	1075	1012	22.89
14	B₁	875	824	10.53
15	B₁	391	368	46.56
16	B₂	3321	3126	11.51
17	B₂	1793	1688	0.41
18	B₂	1392	1310	11.64
19	B₂	1316	1239	3.16
20	B₂	1093	1029	35.88
21	B₂	1006	947	80.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.222
N2	0.000	0.998	0.279
N3	0.000	-0.998	0.279
C4	0.000	0.741	-0.952
C5	0.000	-0.741	-0.952
H6	-0.898	0.000	1.837
H7	0.898	0.000	1.837
H8	0.000	1.468	-1.743
H9	0.000	-1.468	-1.743

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3738	1.3738	2.2972	2.2972	1.0883	1.0883	3.3092	3.3092
N2	1.3738		1.9968	1.2574	2.1308	2.0570	2.0570	2.0759	3.1893
N3	1.3738	1.9968		2.1308	1.2574	2.0570	2.0570	3.1893	2.0759
C4	2.2972	1.2574	2.1308		1.4820	3.0222	3.0222	1.0745	2.3464
C5	2.2972	2.1308	1.2574	1.4820		3.0222	3.0222	2.3464	1.0745
H6	1.0883	2.0570	2.0570	3.0222	3.0222		1.7965	3.9723	3.9723
H7	1.0883	2.0570	2.0570	3.0222	3.0222	1.7965		3.9723	3.9723
H8	3.3092	2.0759	3.1893	1.0745	2.3464	3.9723	3.9723		2.9359
H9	3.3092	3.1893	2.0759	2.3464	1.0745	3.9723	3.9723	2.9359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.571	C1	N3	C5	121.571
N2	C1	N3	93.231	N2	C1	H6	112.818
N2	C1	H7	112.818	N2	C4	C5	101.813
N2	C4	H8	125.613	N3	C1	H6	112.818
N3	C1	H7	112.818	N3	C5	C4	101.813
N3	C5	H9	125.613	C4	C5	H9	132.573
C5	C4	H8	132.573	H6	C1	H7	111.255

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

using model chemistry: CISD/3-21G

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/3-21G

States and conformations

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