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	hartrees
Energy at 0K	-225.482598
Energy at 298.15K	-225.488625
HF Energy	-224.741219
Nuclear repulsion energy	166.116325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3103	9.02
2	A₁	3139	2952	0.28
3	A₁	1768	1662	18.82
4	A₁	1456	1369	0.12
5	A₁	1415	1330	19.61
6	A₁	1291	1214	3.28
7	A₁	1056	993	0.99
8	A₁	952	895	15.41
9	A₂	1167	1097	0.00
10	A₂	915	860	0.00
11	A₂	541	509	0.00
12	B₁	3194	3003	0.04
13	B₁	1027	966	22.95
14	B₁	834	784	5.56
15	B₁	350	329	33.32
16	B₂	3283	3087	5.69
17	B₂	1831	1722	0.05
18	B₂	1451	1364	40.79
19	B₂	1261	1186	1.59
20	B₂	1104	1038	26.25
21	B₂	948	891	67.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.208
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.731	-0.950
C5	0.000	-0.731	-0.950
H6	-0.901	0.000	1.839
H7	0.901	0.000	1.839
H8	0.000	1.487	-1.736
H9	0.000	-1.487	-1.736

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3613	1.3613	2.2792	2.2792	1.0996	1.0996	3.2986	3.2986
N2	1.3613		1.9946	1.2604	2.1228	2.0571	2.0571	2.0763	3.2006
N3	1.3613	1.9946		2.1228	1.2604	2.0571	2.0571	3.2006	2.0763
C4	2.2792	1.2604	2.1228		1.4629	3.0212	3.0212	1.0901	2.3536
C5	2.2792	2.1228	1.2604	1.4629		3.0212	3.0212	2.3536	1.0901
H6	1.0996	2.0571	2.0571	3.0212	3.0212		1.8013	3.9755	3.9755
H7	1.0996	2.0571	2.0571	3.0212	3.0212	1.8013		3.9755	3.9755
H8	3.2986	2.0763	3.2006	1.0901	2.3536	3.9755	3.9755		2.9742
H9	3.2986	3.2006	2.0763	2.3536	1.0901	3.9755	3.9755	2.9742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.718	C1	N3	C5	120.718
N2	C1	N3	94.210	N2	C1	H6	112.986
N2	C1	H7	112.986	N2	C4	C5	102.177
N2	C4	H8	123.939	N3	C1	H6	112.986
N3	C1	H7	112.986	N3	C5	C4	102.177
N3	C5	H9	123.939	C4	C5	H9	133.884
C5	C4	H8	133.884	H6	C1	H7	109.979

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

using model chemistry: MP3=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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