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	hartrees
Energy at 0K	-225.521189
Energy at 298.15K	-225.527136
HF Energy	-224.739207
Nuclear repulsion energy	165.475438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3252	3119
2	A₁	3096	2969
3	A₁	1710	1640
4	A₁	1431	1372
5	A₁	1394	1337
6	A₁	1269	1217
7	A₁	1032	989
8	A₁	920	883
9	A₂	1148	1101
10	A₂	875	839
11	A₂	519	498
12	B₁	3152	3023
13	B₁	1010	968
14	B₁	810	777
15	B₁	337	323
16	B₂	3236	3104
17	B₂	1763	1691
18	B₂	1412	1354
19	B₂	1236	1185
20	B₂	1085	1041
21	B₂	928	890

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.214
N2	0.000	0.998	0.285
N3	0.000	-0.998	0.285
C4	0.000	0.734	-0.957
C5	0.000	-0.734	-0.957
H6	-0.904	0.000	1.846
H7	0.904	0.000	1.846
H8	0.000	1.498	-1.740
H9	0.000	-1.498	-1.740

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3637	1.3637	2.2920	2.2920	1.1027	1.1027	3.3122	3.3122
N2	1.3637		1.9951	1.2690	2.1308	2.0617	2.0617	2.0853	3.2131
N3	1.3637	1.9951		2.1308	1.2690	2.0617	2.0617	3.2131	2.0853
C4	2.2920	1.2690	2.1308		1.4686	3.0353	3.0353	1.0936	2.3653
C5	2.2920	2.1308	1.2690	1.4686		3.0353	3.0353	2.3653	1.0936
H6	1.1027	2.0617	2.0617	3.0353	3.0353		1.8074	3.9900	3.9900
H7	1.1027	2.0617	2.0617	3.0353	3.0353	1.8074		3.9900	3.9900
H8	3.3122	2.0853	3.2131	1.0936	2.3653	3.9900	3.9900		2.9952
H9	3.3122	3.2131	2.0853	2.3653	1.0936	3.9900	3.9900	2.9952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.016	C1	N3	C5	121.016
N2	C1	N3	94.023	N2	C1	H6	112.999
N2	C1	H7	112.999	N2	C4	C5	101.972
N2	C4	H8	123.761	N3	C1	H6	112.999
N3	C1	H7	112.999	N3	C5	C4	101.972
N3	C5	H9	123.761	C4	C5	H9	134.267
C5	C4	H8	134.267	H6	C1	H7	110.079

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

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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