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	hartrees
Energy at 0K	-223.905729
Energy at 298.15K	-223.911741
HF Energy	-223.434112
Nuclear repulsion energy	164.751563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3129	8.13
2	A₁	3129	2976	0.46
3	A₁	1634	1554	28.79
4	A₁	1508	1434	7.48
5	A₁	1360	1294	0.21
6	A₁	1240	1180	5.86
7	A₁	1023	973	17.02
8	A₁	879	836	5.31
9	A₂	1192	1134	0.00
10	A₂	883	840	0.00
11	A₂	571	543	0.00
12	B₁	3181	3026	0.04
13	B₁	1048	997	18.42
14	B₁	833	792	12.99
15	B₁	368	350	44.17
16	B₂	3273	3114	10.58
17	B₂	1667	1586	0.59
18	B₂	1338	1273	7.95
19	B₂	1284	1221	3.13
20	B₂	1066	1014	26.68
21	B₂	978	930	84.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.230
N2	0.000	0.999	0.284
N3	0.000	-0.999	0.284
C4	0.000	0.744	-0.963
C5	0.000	-0.744	-0.963
H6	-0.902	0.000	1.845
H7	0.902	0.000	1.845
H8	0.000	1.481	-1.750
H9	0.000	-1.481	-1.750

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3754	1.3754	2.3157	2.3157	1.0919	1.0919	3.3281	3.3281
N2	1.3754		1.9971	1.2728	2.1427	2.0609	2.0609	2.0911	3.2073
N3	1.3754	1.9971		2.1427	1.2728	2.0609	2.0609	3.2073	2.0911
C4	2.3157	1.2728	2.1427		1.4877	3.0417	3.0417	1.0786	2.3598
C5	2.3157	2.1427	1.2728	1.4877		3.0417	3.0417	2.3598	1.0786
H6	1.0919	2.0609	2.0609	3.0417	3.0417		1.8044	3.9919	3.9919
H7	1.0919	2.0609	2.0609	3.0417	3.0417	1.8044		3.9919	3.9919
H8	3.3281	2.0911	3.2073	1.0786	2.3598	3.9919	3.9919		2.9613
H9	3.3281	3.2073	2.0911	2.3598	1.0786	3.9919	3.9919	2.9613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.905	C1	N3	C5	121.905
N2	C1	N3	93.105	N2	C1	H6	112.789
N2	C1	H7	112.789	N2	C4	C5	101.543
N2	C4	H8	125.370	N3	C1	H6	112.789
N3	C1	H7	112.789	N3	C5	C4	101.543
N3	C5	H9	125.370	C4	C5	H9	133.087
C5	C4	H8	133.087	H6	C1	H7	111.438

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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