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	hartrees
Energy at 0K	-322.553231
Energy at 298.15K
HF Energy	-321.547590
Nuclear repulsion energy	273.385824

Atom	x (Å)	y (Å)	z (Å)
N1	0.359	-1.284	0.086
C2	1.050	-0.045	0.014
C3	0.266	1.262	0.134
C4	-1.217	1.130	-0.025
C5	-1.781	-0.082	-0.089
C6	-0.925	-1.271	0.021
O7	2.253	-0.027	-0.119
H8	0.654	1.914	-0.763
H9	-1.809	2.033	-0.072
H10	-2.846	-0.223	-0.194
H11	-1.423	-2.235	0.062
H12	0.525	1.747	0.986

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4207	2.5483	2.8849	2.4607	1.2858	2.2815	3.3213	3.9662	3.3873	2.0207	3.1659
C2	1.4207		1.5290	2.5536	2.8334	2.3251	1.2097	2.1437	3.5360	3.9055	3.3044	2.1053
C3	2.5483	1.5290		1.4969	2.4592	2.8018	2.3820	1.1743	2.2235	3.4637	3.8847	1.0138
C4	2.8849	2.5536	1.4969		1.3387	2.4195	3.6585	2.1580	1.0813	2.1247	3.3726	2.1056
C5	2.4607	2.8334	2.4592	1.3387		1.4694	4.0340	3.2193	2.1157	1.0791	2.1875	3.1333
C6	1.2858	2.3251	2.8018	2.4195	1.4694		3.4151	3.6400	3.4222	2.1986	1.0858	3.4846
O7	2.2815	1.2097	2.3820	3.6585	4.0340	3.4151		2.5960	4.5551	5.1025	4.2918	2.7121
H8	3.3213	2.1437	1.1743	2.1580	3.2193	3.6400	2.5960		2.5611	4.1393	4.7122	1.7617
H9	3.9662	3.5360	2.2235	1.0813	2.1157	3.4222	4.5551	2.5611		2.4862	4.2877	2.5784
H10	3.3873	3.9055	3.4637	2.1247	1.0791	2.1986	5.1025	4.1393	2.4862		2.4768	4.0785
H11	2.0207	3.3044	3.8847	3.3726	2.1875	1.0858	4.2918	4.7122	4.2877	2.4768		4.5283
H12	3.1659	2.1053	1.0138	2.1056	3.1333	3.4846	2.7121	1.7617	2.5784	4.0785	4.5283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	119.472	N1	C2	O7	120.100
N1	C6	C5	126.406	N1	C6	H11	116.620
C2	N1	C6	118.343	C2	C3	C4	115.100
C2	C3	H8	104.158	C2	C3	H12	110.121
C3	C2	O7	120.415	C3	C4	C5	120.172
C3	C4	H9	118.283	C4	C3	H8	107.155
C4	C3	H12	112.577	C4	C5	C6	118.921
C4	C5	H10	122.626	C5	C4	H9	121.540
C5	C6	H11	116.970	C6	C5	H10	118.435
H8	C3	H12	107.017

All results from a given calculation for C₅H₅NO (2(3H)-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(3H)-Pyridinone)

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

States and conformations

All results from a given calculation for C₅H₅NO (2(3H)-Pyridinone)