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	hartrees
Energy at 0K	-225.617202
Energy at 298.15K	-225.623238
HF Energy	-224.747695
Nuclear repulsion energy	167.021383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3107	7.76
2	A₁	3139	2951	1.23
3	A₁	1687	1585	19.76
4	A₁	1429	1343	8.07
5	A₁	1399	1315	14.79
6	A₁	1270	1194	4.98
7	A₁	1059	996	1.06
8	A₁	939	882	12.27
9	A₂	1175	1104	0.00
10	A₂	939	882	0.00
11	A₂	557	523	0.00
12	B₁	3196	3004	1.82
13	B₁	1019	958	18.54
14	B₁	838	788	2.97
15	B₁	362	340	37.45
16	B₂	3291	3093	3.29
17	B₂	1755	1650	0.44
18	B₂	1394	1310	28.08
19	B₂	1253	1177	0.82
20	B₂	1097	1031	29.88
21	B₂	943	887	70.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.199
N2	0.000	0.996	0.283
N3	0.000	-0.996	0.283
C4	0.000	0.724	-0.945
C5	0.000	-0.724	-0.945
H6	-0.894	0.000	1.823
H7	0.894	0.000	1.823
H8	0.000	1.467	-1.727
H9	0.000	-1.467	-1.727

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3533	1.3533	2.2630	2.2630	1.0900	1.0900	3.2731	3.2731
N2	1.3533		1.9929	1.2582	2.1139	2.0403	2.0403	2.0646	3.1795
N3	1.3533	1.9929		2.1139	1.2582	2.0403	2.0403	3.1795	2.0646
C4	2.2630	1.2582	2.1139		1.4479	2.9977	2.9977	1.0786	2.3261
C5	2.2630	2.1139	1.2582	1.4479		2.9977	2.9977	2.3261	1.0786
H6	1.0900	2.0403	2.0403	2.9977	2.9977		1.7870	3.9439	3.9439
H7	1.0900	2.0403	2.0403	2.9977	2.9977	1.7870		3.9439	3.9439
H8	3.2731	2.0646	3.1795	1.0786	2.3261	3.9439	3.9439		2.9335
H9	3.2731	3.1795	2.0646	2.3261	1.0786	3.9439	3.9439	2.9335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.075	C1	N3	C5	120.075
N2	C1	N3	94.834	N2	C1	H6	112.801
N2	C1	H7	112.801	N2	C4	C5	102.508
N2	C4	H8	123.963	N3	C1	H6	112.801
N3	C1	H7	112.801	N3	C5	C4	102.508
N3	C5	H9	123.963	C4	C5	H9	133.529
C5	C4	H8	133.529	H6	C1	H7	110.120

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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