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	hartrees
Energy at 0K	-225.640029
Energy at 298.15K	-225.646069
HF Energy	-224.776652
Nuclear repulsion energy	166.762622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3295	10.14
2	A₁	3137	3137	0.14
3	A₁	1759	1759	20.57
4	A₁	1464	1464	3.68
5	A₁	1428	1428	16.74
6	A₁	1283	1283	3.76
7	A₁	1058	1058	1.09
8	A₁	958	958	15.13
9	A₂	1176	1176	0.00
10	A₂	913	913	0.00
11	A₂	543	543	0.00
12	B₁	3184	3184	0.02
13	B₁	1042	1042	23.70
14	B₁	839	839	6.27
15	B₁	353	353	34.88
16	B₂	3280	3280	5.38
17	B₂	1823	1823	0.00
18	B₂	1448	1448	37.18
19	B₂	1271	1271	2.56
20	B₂	1109	1109	30.48
21	B₂	952	952	64.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.204
N2	0.000	0.997	0.280
N3	0.000	-0.997	0.280
C4	0.000	0.729	-0.945
C5	0.000	-0.729	-0.945
H6	-0.897	0.000	1.827
H7	0.897	0.000	1.827
H8	0.000	1.474	-1.728
H9	0.000	-1.474	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3594	1.3594	2.2688	2.2688	1.0920	1.0920	3.2814	3.2814
N2	1.3594		1.9942	1.2536	2.1162	2.0475	2.0475	2.0637	3.1838
N3	1.3594	1.9942		2.1162	1.2536	2.0475	2.0475	3.1838	2.0637
C4	2.2688	1.2536	2.1162		1.4575	3.0031	3.0031	1.0810	2.3376
C5	2.2688	2.1162	1.2536	1.4575		3.0031	3.0031	2.3376	1.0810
H6	1.0920	2.0475	2.0475	3.0031	3.0031		1.7931	3.9516	3.9516
H7	1.0920	2.0475	2.0475	3.0031	3.0031	1.7931		3.9516	3.9516
H8	3.2814	2.0637	3.1838	1.0810	2.3376	3.9516	3.9516		2.9474
H9	3.2814	3.1838	2.0637	2.3376	1.0810	3.9516	3.9516	2.9474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.460	C1	N3	C5	120.460
N2	C1	N3	94.358	N2	C1	H6	112.831
N2	C1	H7	112.831	N2	C4	C5	102.361
N2	C4	H8	124.079	N3	C1	H6	112.831
N3	C1	H7	112.831	N3	C5	C4	102.361
N3	C5	H9	124.079	C4	C5	H9	133.561
C5	C4	H8	133.561	H6	C1	H7	110.380

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

using model chemistry: MP3=FULL/6-311G**

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/6-311G**

States and conformations

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