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	hartrees
Energy at 0K	-225.491216
Energy at 298.15K	-225.497261
HF Energy	-224.731529
Nuclear repulsion energy	166.837406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3348	10.24
2	A₁	3174	3174	0.36
3	A₁	1782	1782	21.34
4	A₁	1496	1496	3.91
5	A₁	1456	1456	12.29
6	A₁	1299	1299	3.26
7	A₁	1075	1075	1.16
8	A₁	969	969	13.67
9	A₂	1187	1187	0.00
10	A₂	905	905	0.00
11	A₂	545	545	0.00
12	B₁	3227	3227	0.24
13	B₁	1051	1051	21.82
14	B₁	840	840	4.77
15	B₁	359	359	38.36
16	B₂	3332	3332	8.08
17	B₂	1848	1848	0.15
18	B₂	1466	1466	33.01
19	B₂	1294	1294	1.12
20	B₂	1117	1117	30.90
21	B₂	956	956	65.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.205
N2	0.000	0.997	0.280
N3	0.000	-0.997	0.280
C4	0.000	0.726	-0.946
C5	0.000	-0.726	-0.946
H6	-0.891	0.000	1.828
H7	0.891	0.000	1.828
H8	0.000	1.465	-1.728
H9	0.000	-1.465	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3597	1.3597	2.2698	2.2698	1.0873	1.0873	3.2781	3.2781
N2	1.3597		1.9943	1.2560	2.1147	2.0451	2.0451	2.0619	3.1774
N3	1.3597	1.9943		2.1147	1.2560	2.0451	2.0451	3.1774	2.0619
C4	2.2698	1.2560	2.1147		1.4514	3.0023	3.0023	1.0761	2.3262
C5	2.2698	2.1147	1.2560	1.4514		3.0023	3.0023	2.3262	1.0761
H6	1.0873	2.0451	2.0451	3.0023	3.0023		1.7825	3.9473	3.9473
H7	1.0873	2.0451	2.0451	3.0023	3.0023	1.7825		3.9473	3.9473
H8	3.2781	2.0619	3.1774	1.0761	2.3262	3.9473	3.9473		2.9306
H9	3.2781	3.1774	2.0619	2.3262	1.0761	3.9473	3.9473	2.9306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.350	C1	N3	C5	120.350
N2	C1	N3	94.336	N2	C1	H6	112.920
N2	C1	H7	112.920	N2	C4	C5	102.482
N2	C4	H8	124.103	N3	C1	H6	112.920
N3	C1	H7	112.920	N3	C5	C4	102.482
N3	C5	H9	124.103	C4	C5	H9	133.415
C5	C4	H8	133.415	H6	C1	H7	110.104

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G**

States and conformations

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