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	hartrees
Energy at 0K	-222.150481
Energy at 298.15K	-222.156118
HF Energy	-221.865408
Nuclear repulsion energy	162.843409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3549	3095	7.56
2	A₁	3404	2968	14.08
3	A₁	1767	1541	13.49
4	A₁	1588	1385	6.52
5	A₁	1438	1254	0.85
6	A₁	1345	1172	6.47
7	A₁	1081	942	1.56
8	A₁	951	829	7.51
9	A₂	1221	1065	0.00
10	A₂	871	759	0.00
11	A₂	552	482	0.00
12	B₁	3518	3067	7.78
13	B₁	1091	951	5.50
14	B₁	812	708	2.58
15	B₁	249	217	31.02
16	B₂	3534	3081	0.54
17	B₂	1794	1565	1.33
18	B₂	1447	1262	10.52
19	B₂	1298	1131	11.15
20	B₂	1106	964	7.91
21	B₂	981	855	47.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.259
N2	0.000	1.000	0.284
N3	0.000	-1.000	0.284
C4	0.000	0.742	-0.981
C5	0.000	-0.742	-0.981
H6	-0.919	0.000	1.883
H7	0.919	0.000	1.883
H8	0.000	1.514	-1.765
H9	0.000	-1.514	-1.765

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3965	1.3965	2.3595	2.3595	1.1102	1.1102	3.3818	3.3818
N2	1.3965		1.9994	1.2905	2.1525	2.0974	2.0974	2.1125	3.2428
N3	1.3965	1.9994		2.1525	1.2905	2.0974	2.0974	3.2428	2.1125
C4	2.3595	1.2905	2.1525		1.4844	3.0973	3.0973	1.1002	2.3884
C5	2.3595	2.1525	1.2905	1.4844		3.0973	3.0973	2.3884	1.1002
H6	1.1102	2.0974	2.0974	3.0973	3.0973		1.8371	4.0547	4.0547
H7	1.1102	2.0974	2.0974	3.0973	3.0973	1.8371		4.0547	4.0547
H8	3.3818	2.1125	3.2428	1.1002	2.3884	4.0547	4.0547		3.0273
H9	3.3818	3.2428	2.1125	2.3884	1.1002	4.0547	4.0547	3.0273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	122.779	C1	N3	C5	122.779
N2	C1	N3	91.425	N2	C1	H6	113.090
N2	C1	H7	113.090	N2	C4	C5	101.508
N2	C4	H8	123.972	N3	C1	H6	113.090
N3	C1	H7	113.090	N3	C5	C4	101.508
N3	C5	H9	123.972	C4	C5	H9	134.520
C5	C4	H8	134.520	H6	C1	H7	111.659

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

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

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