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	hartrees
Energy at 0K	-225.850428
Energy at 298.15K
HF Energy	-224.896863
Nuclear repulsion energy	162.865728

Atom	x (Å)	y (Å)
N1	0.000	1.107
C2	-1.091	0.284
C3	1.122	0.300
N4	-0.746	-0.988
C5	0.638	-0.985
H6	-0.012	2.112
H7	-2.100	0.665
H8	2.120	0.704
H9	1.201	-1.905

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3662	1.3817	2.2240	2.1875	1.0052	2.1459	2.1576	3.2422
C2	1.3662		2.2122	1.3177	2.1448	2.1227	1.0788	3.2376	3.1687
C3	1.3817	2.2122		2.2691	1.3732	2.1374	3.2420	1.0768	2.2061
N4	2.2240	1.3177	2.2691		1.3849	3.1860	2.1362	3.3285	2.1523
C5	2.1875	2.1448	1.3732	1.3849		3.1650	3.1970	2.2469	1.0778
H6	1.0052	2.1227	2.1374	3.1860	3.1650		2.5405	2.5546	4.1959
H7	2.1459	1.0788	3.2420	2.1362	3.1970	2.5405		4.2197	4.1829
H8	2.1576	3.2376	1.0768	3.3285	2.2469	2.5546	4.2197		2.7659
H9	3.2422	3.1687	2.2061	2.1523	1.0778	4.1959	4.1829	2.7659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.908	N1	C2	H7	122.285
N1	C3	C5	105.130	N1	C3	H8	122.222
C2	N1	C3	107.223	C2	N1	H6	126.365
C2	N4	C5	105.022	C3	N1	H6	126.412
C3	C5	N4	110.716	C3	C5	H9	127.935
N4	C2	H7	125.807	N4	C5	H9	121.349
C5	C3	H8	132.648

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)

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

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 (1H-Imidazole)

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

States and conformations

All results from a given calculation for C₃H₄N₂ (1H-Imidazole)