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	hartrees
Energy at 0K	-225.476114
Energy at 298.15K	-225.482059
HF Energy	-224.721870
Nuclear repulsion energy	165.882382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3252	3105
2	A₁	3085	2946
3	A₁	1699	1622
4	A₁	1466	1400
5	A₁	1410	1347
6	A₁	1271	1214
7	A₁	1047	1000
8	A₁	932	890
9	A₂	1156	1104
10	A₂	849	811
11	A₂	530	506
12	B₁	3134	2993
13	B₁	1029	982
14	B₁	802	765
15	B₁	349	333
16	B₂	3238	3091
17	B₂	1755	1675
18	B₂	1412	1348
19	B₂	1253	1197
20	B₂	1092	1043
21	B₂	936	893

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.212
N2	0.000	0.997	0.284
N3	0.000	-0.997	0.284
C4	0.000	0.729	-0.955
C5	0.000	-0.729	-0.955
H6	-0.900	0.000	1.841
H7	0.900	0.000	1.841
H8	0.000	1.484	-1.737
H9	0.000	-1.484	-1.737

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3618	1.3618	2.2860	2.2860	1.0980	1.0980	3.3010	3.3010
N2	1.3618		1.9947	1.2680	2.1253	2.0561	2.0561	2.0790	3.2006
N3	1.3618	1.9947		2.1253	1.2680	2.0561	2.0561	3.2006	2.0790
C4	2.2860	1.2680	2.1253		1.4585	3.0264	3.0264	1.0869	2.3475
C5	2.2860	2.1253	1.2680	1.4585		3.0264	3.0264	2.3475	1.0869
H6	1.0980	2.0561	2.0561	3.0264	3.0264		1.7992	3.9767	3.9767
H7	1.0980	2.0561	2.0561	3.0264	3.0264	1.7992		3.9767	3.9767
H8	3.3010	2.0790	3.2006	1.0869	2.3475	3.9767	3.9767		2.9685
H9	3.3010	3.2006	2.0790	2.3475	1.0869	3.9767	3.9767	2.9685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.706	C1	N3	C5	120.706
N2	C1	N3	94.173	N2	C1	H6	112.978
N2	C1	H7	112.978	N2	C4	C5	102.207
N2	C4	H8	123.796	N3	C1	H6	112.978
N3	C1	H7	112.978	N3	C5	C4	102.207
N3	C5	H9	123.796	C4	C5	H9	133.996
C5	C4	H8	133.996	H6	C1	H7	110.033

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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