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	hartrees
Energy at 0K	-225.497062
Energy at 298.15K	-225.503011
HF Energy	-224.722511
Nuclear repulsion energy	166.057315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3251	3251
2	A₁	3083	3083
3	A₁	1719	1719
4	A₁	1470	1470
5	A₁	1418	1418
6	A₁	1275	1275
7	A₁	1049	1049
8	A₁	941	941
9	A₂	1162	1162
10	A₂	851	851
11	A₂	523	523
12	B₁	3131	3131
13	B₁	1031	1031
14	B₁	807	807
15	B₁	349	349
16	B₂	3236	3236
17	B₂	1776	1776
18	B₂	1421	1421
19	B₂	1259	1259
20	B₂	1095	1095
21	B₂	938	938

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.210
N2	0.000	0.997	0.283
N3	0.000	-0.997	0.283
C4	0.000	0.728	-0.953
C5	0.000	-0.728	-0.953
H6	-0.899	0.000	1.839
H7	0.899	0.000	1.839
H8	0.000	1.481	-1.736
H9	0.000	-1.481	-1.736

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3618	1.3618	2.2826	2.2826	1.0975	1.0975	3.2980	3.2980
N2	1.3618		1.9947	1.2651	2.1226	2.0556	2.0556	2.0766	3.1970
N3	1.3618	1.9947		2.1226	1.2651	2.0556	2.0556	3.1970	2.0766
C4	2.2826	1.2651	2.1226		1.4563	3.0226	3.0226	1.0865	2.3439
C5	2.2826	2.1226	1.2651	1.4563		3.0226	3.0226	2.3439	1.0865
H6	1.0975	2.0556	2.0556	3.0226	3.0226		1.7989	3.9734	3.9734
H7	1.0975	2.0556	2.0556	3.0226	3.0226	1.7989		3.9734	3.9734
H8	3.2980	2.0766	3.1970	1.0865	2.3439	3.9734	3.9734		2.9620
H9	3.2980	3.1970	2.0766	2.3439	1.0865	3.9734	3.9734	2.9620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.628	C1	N3	C5	120.628
N2	C1	N3	94.172	N2	C1	H6	112.965
N2	C1	H7	112.965	N2	C4	C5	102.287
N2	C4	H8	123.850	N3	C1	H6	112.965
N3	C1	H7	112.965	N3	C5	C4	102.287
N3	C5	H9	123.850	C4	C5	H9	133.863
C5	C4	H8	133.863	H6	C1	H7	110.078

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

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/6-31G*

States and conformations

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