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	hartrees
Energy at 0K	-225.898896
Energy at 298.15K
HF Energy	-225.654257
Nuclear repulsion energy	166.643588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3277	13.53
2	A₁	3106	3106	0.08
3	A₁	1719	1719	21.06
4	A₁	1448	1448	6.28
5	A₁	1414	1414	12.09
6	A₁	1274	1274	4.88
7	A₁	1050	1050	2.24
8	A₁	941	941	12.71
9	A₂	1160	1160	0.00
10	A₂	913	913	0.00
11	A₂	547	547	0.00
12	B₁	3152	3152	0.02
13	B₁	1026	1026	17.74
14	B₁	830	830	3.76
15	B₁	365	365	39.46
16	B₂	3262	3262	9.97
17	B₂	1784	1784	0.00
18	B₂	1410	1410	33.79
19	B₂	1264	1264	0.88
20	B₂	1096	1096	31.96
21	B₂	937	937	72.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.203
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.726	-0.948
C5	0.000	-0.726	-0.948
H6	-0.893	0.000	1.834
H7	0.893	0.000	1.834
H8	0.000	1.471	-1.731
H9	0.000	-1.471	-1.731

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3574	1.3574	2.2707	2.2707	1.0926	1.0926	3.2829	3.2829
N2	1.3574		1.9938	1.2595	2.1173	2.0488	2.0488	2.0686	3.1852
N3	1.3574	1.9938		2.1173	1.2595	2.0488	2.0488	3.1852	2.0686
C4	2.2707	1.2595	2.1173		1.4528	3.0102	3.0102	1.0810	2.3331
C5	2.2707	2.1173	1.2595	1.4528		3.0102	3.0102	2.3331	1.0810
H6	1.0926	2.0488	2.0488	3.0102	3.0102		1.7851	3.9585	3.9585
H7	1.0926	2.0488	2.0488	3.0102	3.0102	1.7851		3.9585	3.9585
H8	3.2829	2.0686	3.1852	1.0810	2.3331	3.9585	3.9585		2.9425
H9	3.2829	3.1852	2.0686	2.3331	1.0810	3.9585	3.9585	2.9425

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.341	C1	N3	C5	120.341
N2	C1	N3	94.514	N2	C1	H6	113.046
N2	C1	H7	113.046	N2	C4	C5	102.402
N2	C4	H8	124.041	N3	C1	H6	113.046
N3	C1	H7	113.046	N3	C5	C4	102.402
N3	C5	H9	124.041	C4	C5	H9	133.557
C5	C4	H8	133.557	H6	C1	H7	109.552

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

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