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	hartrees
Energy at 0K	-225.686655
Energy at 298.15K	-225.692724
HF Energy	-224.805157
Nuclear repulsion energy	167.130666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3110	9.44
2	A₁	3129	2956	0.04
3	A₁	1750	1654	21.98
4	A₁	1453	1373	1.25
5	A₁	1426	1347	22.19
6	A₁	1276	1205	2.67
7	A₁	1056	998	0.91
8	A₁	957	904	14.42
9	A₂	1180	1115	0.00
10	A₂	942	890	0.00
11	A₂	553	522	0.00
12	B₁	3175	2999	0.19
13	B₁	1037	979	24.12
14	B₁	846	799	5.36
15	B₁	365	344	34.52
16	B₂	3276	3095	4.09
17	B₂	1818	1717	0.05
18	B₂	1440	1360	34.31
19	B₂	1276	1205	1.62
20	B₂	1103	1042	33.60
21	B₂	951	898	64.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.201
N2	0.000	0.997	0.279
N3	0.000	-0.997	0.279
C4	0.000	0.726	-0.942
C5	0.000	-0.726	-0.942
H6	-0.891	0.000	1.823
H7	0.891	0.000	1.823
H8	0.000	1.467	-1.723
H9	0.000	-1.467	-1.723

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3578	1.3578	2.2627	2.2627	1.0873	1.0873	3.2713	3.2713
N2	1.3578		1.9939	1.2507	2.1122	2.0430	2.0430	2.0566	3.1748
N3	1.3578	1.9939		2.1122	1.2507	2.0430	2.0430	3.1748	2.0566
C4	2.2627	1.2507	2.1122		1.4530	2.9952	2.9952	1.0763	2.3284
C5	2.2627	2.1122	1.2507	1.4530		2.9952	2.9952	2.3284	1.0763
H6	1.0873	2.0430	2.0430	2.9952	2.9952		1.7826	3.9403	3.9403
H7	1.0873	2.0430	2.0430	2.9952	2.9952	1.7826		3.9403	3.9403
H8	3.2713	2.0566	3.1748	1.0763	2.3284	3.9403	3.9403		2.9339
H9	3.2713	3.1748	2.0566	2.3284	1.0763	3.9403	3.9403	2.9339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.269	C1	N3	C5	120.269
N2	C1	N3	94.486	N2	C1	H6	112.883
N2	C1	H7	112.883	N2	C4	C5	102.488
N2	C4	H8	124.041	N3	C1	H6	112.883
N3	C1	H7	112.883	N3	C5	C4	102.488
N3	C5	H9	124.041	C4	C5	H9	133.471
C5	C4	H8	133.471	H6	C1	H7	110.114

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

using model chemistry: MP3/cc-pVTZ

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: MP3/cc-pVTZ

States and conformations

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