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	hartrees
Energy at 0K	-225.832258
Energy at 298.15K
HF Energy	-224.893748
Nuclear repulsion energy	163.003909

Atom	x (Å)	y (Å)
N1	0.000	1.106
C2	-1.089	0.283
C3	1.120	0.301
N4	-0.746	-0.989
C5	0.637	-0.984
H6	-0.012	2.110
H7	-2.097	0.663
H8	2.118	0.704
H9	1.201	-1.901

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3650	1.3799	2.2244	2.1851	1.0041	2.1434	2.1559	3.2388
C2	1.3650		2.2091	1.3171	2.1405	2.1209	1.0778	3.2341	3.1645
C3	1.3799	2.2091		2.2691	1.3726	2.1348	3.2378	1.0758	2.2039
N4	2.2244	1.3171	2.2691		1.3834	3.1852	2.1340	3.3272	2.1507
C5	2.1851	2.1405	1.3726	1.3834		3.1615	3.1918	2.2451	1.0772
H6	1.0041	2.1209	2.1348	3.1852	3.1615		2.5378	2.5528	4.1913
H7	2.1434	1.0778	3.2378	2.1340	3.1918	2.5378		4.2152	4.1779
H8	2.1559	3.2341	1.0758	3.3272	2.2451	2.5528	4.2152		2.7618
H9	3.2388	3.1645	2.2039	2.1507	1.0772	4.1913	4.1779	2.7618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	112.050	N1	C2	H7	122.225
N1	C3	C5	105.092	N1	C3	H8	122.301
C2	N1	C3	107.178	C2	N1	H6	126.408
C2	N4	C5	104.840	C3	N1	H6	126.415
C3	C5	N4	110.840	C3	C5	H9	127.802
N4	C2	H7	125.725	N4	C5	H9	121.357
C5	C3	H8	132.607

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVTZ

States and conformations

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