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	hartrees
Energy at 0K	-225.857164
Energy at 298.15K
HF Energy	-224.896212
Nuclear repulsion energy	162.687780

Atom	x (Å)	y (Å)
N1	0.000	1.108
C2	-1.092	0.285
C3	1.122	0.302
N4	-0.745	-0.991
C5	0.639	-0.987
H6	-0.011	2.114
H7	-2.102	0.666
H8	2.119	0.710
H9	1.202	-1.906

	N1	C2	C3	N4	C5	H6	H7	H8	H9
N1		1.3676	1.3811	2.2273	2.1893	1.0066	2.1478	2.1563	3.2443
C2	1.3676		2.2145	1.3225	2.1477	2.1248	1.0791	3.2397	3.1725
C3	1.3811	2.2145		2.2717	1.3765	2.1372	3.2445	1.0773	2.2094
N4	2.2273	1.3225	2.2717		1.3838	3.1909	2.1419	3.3316	2.1517
C5	2.1893	2.1477	1.3765	1.3838		3.1680	3.2002	2.2516	1.0784
H6	1.0066	2.1248	2.1372	3.1909	3.1680		2.5430	2.5520	4.1991
H7	2.1478	1.0791	3.2445	2.1419	3.2002	2.5430		4.2215	4.1873
H8	2.1563	3.2397	1.0773	3.3316	2.2516	2.5520	4.2215		2.7714
H9	3.2443	3.1725	2.2094	2.1517	1.0784	4.1991	4.1873	2.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	N4	111.768	N1	C2	H7	122.325
N1	C3	C5	105.102	N1	C3	H8	122.112
C2	N1	C3	107.349	C2	N1	H6	126.331
C2	N4	C5	105.017	C3	N1	H6	126.321
C3	C5	N4	110.765	C3	C5	H9	127.906
N4	C2	H7	125.906	N4	C5	H9	121.329
C5	C3	H8	132.786

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

using model chemistry: MP4/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: MP4/aug-cc-pVTZ

States and conformations

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