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	hartrees
Energy at 0K	-225.555575
Energy at 298.15K
HF Energy	-224.752260
Nuclear repulsion energy	165.118499

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.220
N2	0.000	0.998	0.285
N3	0.000	-0.998	0.285
C4	0.000	0.735	-0.961
C5	0.000	-0.735	-0.961
H6	-0.907	0.000	1.848
H7	0.907	0.000	1.848
H8	0.000	1.498	-1.743
H9	0.000	-1.498	-1.743

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3671	1.3671	2.3011	2.3011	1.1030	1.1030	3.3199	3.3199
N2	1.3671		1.9957	1.2734	2.1346	2.0639	2.0639	2.0890	3.2162
N3	1.3671	1.9957		2.1346	1.2734	2.0639	2.0639	3.2162	2.0890
C4	2.3011	1.2734	2.1346		1.4705	3.0417	3.0417	1.0926	2.3665
C5	2.3011	2.1346	1.2734	1.4705		3.0417	3.0417	2.3665	1.0926
H6	1.1030	2.0639	2.0639	3.0417	3.0417		1.8133	3.9952	3.9952
H7	1.1030	2.0639	2.0639	3.0417	3.0417	1.8133		3.9952	3.9952
H8	3.3199	2.0890	3.2162	1.0926	2.3665	3.9952	3.9952		2.9964
H9	3.3199	3.2162	2.0890	2.3665	1.0926	3.9952	3.9952	2.9964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.221	C1	N3	C5	121.221
N2	C1	N3	93.758	N2	C1	H6	112.912
N2	C1	H7	112.912	N2	C4	C5	101.900
N2	C4	H8	123.813	N3	C1	H6	112.912
N3	C1	H7	112.912	N3	C5	C4	101.900
N3	C5	H9	123.813	C4	C5	H9	134.287
C5	C4	H8	134.287	H6	C1	H7	110.560

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

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

States and conformations

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