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	hartrees
Energy at 0K	-322.860146
Energy at 298.15K	-322.866493
HF Energy	-321.655450
Nuclear repulsion energy	274.450610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3246	3089	7.16
2	A	3217	3061	1.81
3	A	3160	3007	23.52
4	A	3158	3004	1.60
5	A	3043	2895	0.46
6	A	1774	1688	203.52
7	A	1682	1600	29.33
8	A	1599	1521	60.58
9	A	1431	1362	21.70
10	A	1430	1360	27.59
11	A	1406	1338	9.46
12	A	1321	1257	6.05
13	A	1232	1172	39.74
14	A	1171	1114	4.65
15	A	1143	1087	24.04
16	A	1013	964	3.01
17	A	1006	958	3.65
18	A	995	947	6.69
19	A	975	928	20.63
20	A	960	913	8.36
21	A	921	876	3.72
22	A	779	742	6.76
23	A	714	679	58.53
24	A	634	604	0.59
25	A	573	545	0.48
26	A	530	505	1.08
27	A	464	442	2.43
28	A	417	397	3.02
29	A	273	260	2.05
30	A	90	86	2.40

Atom	x (Å)	y (Å)	z (Å)
N1	0.367	-1.282	0.186
C2	1.047	-0.038	0.081
C3	0.259	1.249	0.234
C4	-1.193	1.131	-0.079
C5	-1.747	-0.085	-0.186
C6	-0.918	-1.260	0.047
O7	2.201	-0.022	-0.289
H8	0.745	2.008	-0.378
H9	-1.781	2.031	-0.193
H10	-2.798	-0.219	-0.395
H11	-1.419	-2.222	0.116
H12	0.382	1.578	1.272

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4214	2.5339	2.8850	2.4577	1.2923	2.2754	3.3593	3.9669	3.3887	2.0199	3.0590
C2	1.4214		1.5170	2.5309	2.8066	2.3138	1.2124	2.1183	3.5147	3.8780	3.2943	2.1147
C3	2.5339	1.5170		1.4891	2.4447	2.7777	2.3797	1.0895	2.2257	3.4485	3.8572	1.0958
C4	2.8850	2.5309	1.4891		1.3399	2.4100	3.5903	2.1482	1.0820	2.1210	3.3659	2.1218
C5	2.4577	2.8066	2.4447	1.3399		1.4575	3.9498	3.2598	2.1163	1.0799	2.1833	3.0692
C6	1.2923	2.3138	2.7777	2.4100	1.4575		3.3724	3.6916	3.4116	2.1942	1.0869	3.3531
O7	2.2754	1.2124	2.3797	3.5903	3.9498	3.3724		2.4996	4.4814	5.0039	4.2559	2.8821
H8	3.3593	2.1183	1.0895	2.1482	3.2598	3.6916	2.4996		2.5331	4.1849	4.7773	1.7433
H9	3.9669	3.5147	2.2257	1.0820	2.1163	3.4116	4.4814	2.5331		2.4779	4.2800	2.6512
H10	3.3887	3.8780	3.4485	2.1210	1.0799	2.1942	5.0039	4.1849	2.4779		2.4844	4.0146
H11	2.0199	3.2943	3.8572	3.3659	2.1833	1.0869	4.2559	4.7773	4.2800	2.4844		4.3612
H12	3.0590	2.1147	1.0958	2.1218	3.0692	3.3531	2.8821	1.7433	2.6512	4.0146	4.3612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	119.118	N1	C2	O7	119.310
N1	C6	C5	126.600	N1	C6	H11	115.936
C2	N1	C6	116.916	C2	C3	C4	114.685
C2	C3	H8	107.589	C2	C3	H12	106.961
C3	C2	O7	120.949	C3	C4	C5	119.474
C3	C4	H9	119.069	C4	C3	H8	111.902
C4	C3	H12	109.397	C4	C5	C6	118.913
C4	C5	H10	122.073	C5	C4	H9	121.445
C5	C6	H11	117.463	C6	C5	H10	118.953
H8	C3	H12	105.828

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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