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	hartrees
Energy at 0K	-225.402666
Energy at 298.15K	-225.408784
HF Energy	-224.771152
Nuclear repulsion energy	167.407318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3094	14.27
2	A₁	3190	2952	0.97
3	A₁	1813	1678	25.59
4	A₁	1511	1398	5.42
5	A₁	1465	1356	17.76
6	A₁	1302	1205	3.59
7	A₁	1081	1000	1.44
8	A₁	980	907	15.38
9	A₂	1215	1125	0.00
10	A₂	957	886	0.00
11	A₂	564	522	0.00
12	B₁	3239	2997	0.48
13	B₁	1077	996	24.95
14	B₁	869	804	7.44
15	B₁	375	347	37.94
16	B₂	3328	3079	6.56
17	B₂	1878	1738	0.05
18	B₂	1484	1374	39.96
19	B₂	1306	1209	2.65
20	B₂	1132	1047	39.33
21	B₂	971	899	67.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.197
N2	0.000	0.997	0.277
N3	0.000	-0.997	0.277
C4	0.000	0.727	-0.938
C5	0.000	-0.727	-0.938
H6	-0.892	0.000	1.819
H7	0.892	0.000	1.819
H8	0.000	1.467	-1.722
H9	0.000	-1.467	-1.722

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3566	1.3566	2.2561	2.2561	1.0871	1.0871	3.2668	3.2668
N2	1.3566		1.9936	1.2451	2.1094	2.0412	2.0412	2.0533	3.1723
N3	1.3566	1.9936		2.1094	1.2451	2.0412	2.0412	3.1723	2.0533
C4	2.2561	1.2451	2.1094		1.4543	2.9879	2.9879	1.0772	2.3294
C5	2.2561	2.1094	1.2451	1.4543		2.9879	2.9879	2.3294	1.0772
H6	1.0871	2.0412	2.0412	2.9879	2.9879		1.7835	3.9349	3.9349
H7	1.0871	2.0412	2.0412	2.9879	2.9879	1.7835		3.9349	3.9349
H8	3.2668	2.0533	3.1723	1.0772	2.3294	3.9349	3.9349		2.9331
H9	3.2668	3.1723	2.0533	2.3294	1.0772	3.9349	3.9349	2.9331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.204	C1	N3	C5	120.204
N2	C1	N3	94.576	N2	C1	H6	112.827
N2	C1	H7	112.827	N2	C4	C5	102.508
N2	C4	H8	124.146	N3	C1	H6	112.827
N3	C1	H7	112.827	N3	C5	C4	102.508
N3	C5	H9	124.146	C4	C5	H9	133.346
C5	C4	H8	133.346	H6	C1	H7	110.228

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

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

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