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	hartrees
Energy at 0K	-322.552577
Energy at 298.15K
HF Energy	-321.550676
Nuclear repulsion energy	271.471019

Atom	x (Å)	y (Å)	z (Å)
N1	-1.259	0.400	0.000
C2	0.000	1.092	0.000
C3	1.250	0.286	0.000
C4	1.225	-1.060	0.000
C5	-0.071	-1.802	0.000
C6	-1.263	-0.886	0.000
O7	0.021	2.313	0.000
H8	2.172	0.853	0.000
H9	2.143	-1.638	0.000
H10	-0.140	-2.463	0.871
H11	-2.237	-1.379	0.000
H12	-0.140	-2.463	-0.871

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4364	2.5109	2.8810	2.5022	1.2867	2.3016	3.4603	3.9655	3.1952	2.0299	3.1952
C2	1.4364		1.4872	2.4766	2.8952	2.3475	1.2212	2.1851	3.4707	3.6636	3.3329	3.6636
C3	2.5109	1.4872		1.3464	2.4705	2.7727	2.3706	1.0826	2.1211	3.2017	3.8634	3.2017
C4	2.8810	2.4766	1.3464		1.4930	2.4939	3.5819	2.1347	1.0848	2.1429	3.4762	2.1429
C5	2.5022	2.8952	2.4705	1.4930		1.5032	4.1164	3.4754	2.2201	1.0958	2.2070	1.0958
C6	1.2867	2.3475	2.7727	2.4939	1.5032		3.4478	3.8502	3.4880	2.1225	1.0910	2.1225
O7	2.3016	1.2212	2.3706	3.5819	4.1164	3.4478		2.5999	4.4849	4.8583	4.3275	4.8583
H8	3.4603	2.1851	1.0826	2.1347	3.4754	3.8502	2.5999		2.4908	4.1358	4.9413	4.1358
H9	3.9655	3.4707	2.1211	1.0848	2.2201	3.4880	4.4849	2.4908		2.5799	4.3876	2.5799
H10	3.1952	3.6636	3.2017	2.1429	1.0958	2.1225	4.8583	4.1358	2.5799		2.5158	1.7416
H11	2.0299	3.3329	3.8634	3.4762	2.2070	1.0910	4.3275	4.9413	4.3876	2.5158		2.5158
H12	3.1952	3.6636	3.2017	2.1429	1.0958	2.1225	4.8583	4.1358	2.5799	1.7416	2.5158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	118.364	N1	C2	O7	119.787
N1	C6	C5	127.328	N1	C6	H11	117.003
C2	N1	C6	119.000	C2	C3	C4	121.776
C2	C3	H8	115.592	C3	C2	O7	121.848
C3	C4	C5	120.849	C3	C4	H9	121.111
C4	C3	H8	122.632	C4	C5	C6	112.683
C4	C5	H10	110.809	C4	C5	H12	110.809
C5	C4	H9	118.040	C5	C6	H11	115.669
C6	C5	H10	108.490	C6	C5	H12	108.490
H10	C5	H12	105.251

All results from a given calculation for C₅H₅NO (2(5H)-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 (2(5H)-Pyridinone)

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

States and conformations

All results from a given calculation for C₅H₅NO (2(5H)-Pyridinone)