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	hartrees
Energy at 0K	-322.545791
Energy at 298.15K
HF Energy	-321.540836
Nuclear repulsion energy	270.541105

Atom	x (Å)	y (Å)	z (Å)
N1	-1.276	-1.044	0.000
C2	-1.240	0.240	0.000
C3	0.000	1.097	0.000
C4	1.271	0.352	0.000
C5	1.248	-0.997	0.000
C6	-0.027	-1.782	0.000
O7	-0.083	2.324	0.000
H8	-2.177	0.795	0.000
H9	2.189	0.928	0.000
H10	2.171	-1.570	0.000
H11	-0.050	-2.447	0.869
H12	-0.050	-2.447	-0.869

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2843	2.4925	2.9049	2.5251	1.4511	3.5731	2.0480	3.9869	3.4875	2.0564	2.0564
C2	1.2843		1.5074	2.5136	2.7787	2.3578	2.3839	1.0895	3.4971	3.8615	3.0644	3.0644
C3	2.4925	1.5074		1.4732	2.4377	2.8790	1.2298	2.1981	2.1951	3.4387	3.6490	3.6490
C4	2.9049	2.5136	1.4732		1.3493	2.4978	2.3917	3.4767	1.0834	2.1222	3.2145	3.2145
C5	2.5251	2.7787	2.4377	1.3493		1.4975	3.5776	3.8661	2.1424	1.0862	2.1311	2.1311
C6	1.4511	2.3578	2.8790	2.4978	1.4975		4.1062	3.3565	3.5004	2.2084	1.0946	1.0946
O7	3.5731	2.3839	1.2298	2.3917	3.5776	4.1062		2.5931	2.6659	4.4989	4.8493	4.8493
H8	2.0480	1.0895	2.1981	3.4767	3.8661	3.3565	2.5931		4.3679	4.9500	3.9742	3.9742
H9	3.9869	3.4971	2.1951	1.0834	2.1424	3.5004	2.6659	4.3679		2.4978	4.1417	4.1417
H10	3.4875	3.8615	3.4387	2.1222	1.0862	2.2084	4.4989	4.9500	2.4978		2.5410	2.5410
H11	2.0564	3.0644	3.6490	3.2145	2.1311	1.0946	4.8493	3.9742	4.1417	2.5410		1.7387
H12	2.0564	3.0644	3.6490	3.2145	2.1311	1.0946	4.8493	3.9742	4.1417	2.5410	1.7387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.274	N1	C2	H8	119.032
N1	C6	C5	117.817	N1	C6	H11	106.926
N1	C6	H12	106.926	C2	N1	C6	118.946
C2	C3	C4	114.980	C2	C3	O7	120.797
C3	N1	H8	56.900	C3	C4	C5	119.401
C3	C4	H9	117.518	C4	C3	O7	124.223
C4	C5	C6	122.582	C4	C5	H10	120.851
C5	C4	H9	123.081	C5	C6	H11	109.625
C5	C6	H12	109.625	C6	C5	H10	116.567
H11	C6	H12	105.161

All results from a given calculation for C₅H₅NO (3(6H)-Pyridinone)

using model chemistry: MP2/6-31+G**

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 C5H5NO (3(6H)-Pyridinone)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₅H₅NO (3(6H)-Pyridinone)