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	hartrees
Energy at 0K	-225.081120
Energy at 298.15K	-225.087101
HF Energy	-224.598107
Nuclear repulsion energy	164.364022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3133	8.71
2	A₁	3121	2965	1.07
3	A₁	1638	1556	28.99
4	A₁	1503	1428	14.74
5	A₁	1378	1309	1.05
6	A₁	1257	1194	7.20
7	A₁	1042	990	7.61
8	A₁	938	891	7.81
9	A₂	1164	1106	0.00
10	A₂	799	759	0.00
11	A₂	547	520	0.00
12	B₁	3177	3018	0.04
13	B₁	1066	1013	17.04
14	B₁	790	751	15.98
15	B₁	370	352	49.83
16	B₂	3281	3118	6.21
17	B₂	1683	1599	0.63
18	B₂	1367	1299	9.55
19	B₂	1278	1214	4.24
20	B₂	1080	1026	34.79
21	B₂	965	917	71.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.233
N2	0.000	0.999	0.287
N3	0.000	-0.999	0.287
C4	0.000	0.739	-0.970
C5	0.000	-0.739	-0.970
H6	-0.899	0.000	1.858
H7	0.899	0.000	1.858
H8	0.000	1.491	-1.748
H9	0.000	-1.491	-1.748

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3755	1.3755	2.3238	2.3238	1.0948	1.0948	3.3335	3.3335
N2	1.3755		1.9971	1.2839	2.1445	2.0670	2.0670	2.0942	3.2159
N3	1.3755	1.9971		2.1445	1.2839	2.0670	2.0670	3.2159	2.0942
C4	2.3238	1.2839	2.1445		1.4775	3.0580	3.0580	1.0824	2.3618
C5	2.3238	2.1445	1.2839	1.4775		3.0580	3.0580	2.3618	1.0824
H6	1.0948	2.0670	2.0670	3.0580	3.0580		1.7981	4.0045	4.0045
H7	1.0948	2.0670	2.0670	3.0580	3.0580	1.7981		4.0045	4.0045
H8	3.3335	2.0942	3.2159	1.0824	2.3618	4.0045	4.0045		2.9825
H9	3.3335	3.2159	2.0942	2.3618	1.0824	4.0045	4.0045	2.9825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.777	C1	N3	C5	121.777
N2	C1	N3	93.098	N2	C1	H6	113.105
N2	C1	H7	113.105	N2	C4	C5	101.674
N2	C4	H8	124.285	N3	C1	H6	113.105
N3	C1	H7	113.105	N3	C5	C4	101.674
N3	C5	H9	124.285	C4	C5	H9	134.040
C5	C4	H8	134.040	H6	C1	H7	110.416

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

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

States and conformations

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