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	hartrees
Energy at 0K	-225.488955
Energy at 298.15K	-225.494915
HF Energy	-224.737496
Nuclear repulsion energy	166.351634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3331	3129	8.44
2	A₁	3155	2963	2.08
3	A₁	1682	1580	22.54
4	A₁	1458	1369	9.17
5	A₁	1419	1333	17.79
6	A₁	1276	1199	4.04
7	A₁	1063	998	0.49
8	A₁	937	880	8.63
9	A₂	1158	1087	0.00
10	A₂	863	811	0.00
11	A₂	523	491	0.00
12	B₁	3216	3020	1.83
13	B₁	1023	960	23.85
14	B₁	821	771	8.03
15	B₁	338	317	40.17
16	B₂	3318	3116	1.79
17	B₂	1752	1646	0.19
18	B₂	1413	1327	36.72
19	B₂	1268	1191	1.12
20	B₂	1100	1033	40.09
21	B₂	935	878	58.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.208
N2	0.000	0.997	0.285
N3	0.000	-0.997	0.285
C4	0.000	0.724	-0.954
C5	0.000	-0.724	-0.954
H6	-0.894	0.000	1.830
H7	0.894	0.000	1.830
H8	0.000	1.471	-1.730
H9	0.000	-1.471	-1.730

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3585	1.3585	2.2797	2.2797	1.0892	1.0892	3.2861	3.2861
N2	1.3585		1.9940	1.2686	2.1206	2.0443	2.0443	2.0706	3.1867
N3	1.3585	1.9940		2.1206	1.2686	2.0443	2.0443	3.1867	2.0706
C4	2.2797	1.2686	2.1206		1.4481	3.0119	3.0119	1.0777	2.3287
C5	2.2797	2.1206	1.2686	1.4481		3.0119	3.0119	2.3287	1.0777
H6	1.0892	2.0443	2.0443	3.0119	3.0119		1.7888	3.9545	3.9545
H7	1.0892	2.0443	2.0443	3.0119	3.0119	1.7888		3.9545	3.9545
H8	3.2861	2.0706	3.1867	1.0777	2.3287	3.9545	3.9545		2.9427
H9	3.2861	3.1867	2.0706	2.3287	1.0777	3.9545	3.9545	2.9427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.362	C1	N3	C5	120.362
N2	C1	N3	94.427	N2	C1	H6	112.811
N2	C1	H7	112.811	N2	C4	C5	102.424
N2	C4	H8	123.678	N3	C1	H6	112.811
N3	C1	H7	112.811	N3	C5	C4	102.424
N3	C5	H9	123.678	C4	C5	H9	133.897
C5	C4	H8	133.897	H6	C1	H7	110.395

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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