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	hartrees
Energy at 0K	-322.535816
Energy at 298.15K	-322.542072
HF Energy	-321.520612
Nuclear repulsion energy	271.548320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3070	22.21
2	A'	3243	3043	1.61
3	A'	3218	3020	10.10
4	A'	3090	2899	3.01
5	A'	1871	1755	124.35
6	A'	1754	1646	17.13
7	A'	1703	1598	1.17
8	A'	1488	1396	16.54
9	A'	1465	1375	2.07
10	A'	1406	1319	4.64
11	A'	1385	1299	5.20
12	A'	1310	1230	8.70
13	A'	1261	1183	1.71
14	A'	1056	991	10.16
15	A'	989	928	5.14
16	A'	960	901	6.94
17	A'	771	723	7.90
18	A'	602	565	3.98
19	A'	512	481	12.67
20	A'	455	427	16.79
21	A"	3124	2931	1.21
22	A"	1228	1152	3.57
23	A"	1002	941	1.25
24	A"	976	915	0.43
25	A"	895	840	1.22
26	A"	782	733	30.05
27	A"	562	528	6.90
28	A"	433	406	19.78
29	A"	282	265	2.98
30	A"	44	41	4.87

Atom	x (Å)	y (Å)	z (Å)
N1	1.322	-1.029	0.000
C2	1.266	0.250	0.000
C3	0.000	1.059	0.000
C4	-1.304	0.280	0.000
C5	-1.112	-1.210	0.000
C6	0.107	-1.764	0.000
O7	0.042	2.271	0.000
H8	2.191	0.829	0.000
H9	-1.887	0.599	0.874
H10	-1.998	-1.840	0.000
H11	0.248	-2.840	0.000
H12	-1.887	0.599	-0.874

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2798	2.4709	2.9339	2.4413	1.4207	3.5397	2.0508	3.7028	3.4178	2.1057	3.7028
C2	1.2798		1.5025	2.5701	2.7906	2.3238	2.3633	1.0912	3.2902	3.8757	3.2531	3.2902
C3	2.4709	1.5025		1.5187	2.5264	2.8248	1.2133	2.2029	2.1293	3.5203	3.9066	2.1293
C4	2.9339	2.5701	1.5187		1.5016	2.4833	2.4035	3.5376	1.0980	2.2302	3.4845	1.0980
C5	2.4413	2.7906	2.5264	1.5016		1.3392	3.6673	3.8817	2.1530	1.0869	2.1235	2.1530
C6	1.4207	2.3238	2.8248	2.4833	1.3392		4.0359	3.3269	3.2129	2.1060	1.0852	3.2129
O7	3.5397	2.3633	1.2133	2.4035	3.6673	4.0359		2.5882	2.6978	4.5892	5.1154	2.6978
H8	2.0508	1.0912	2.2029	3.5376	3.8817	3.3269	2.5882		4.1764	4.9668	4.1515	4.1764
H9	3.7028	3.2902	2.1293	1.0980	2.1530	3.2129	2.6978	4.1764		2.5932	4.1413	1.7479
H10	3.4178	3.8757	3.5203	2.2302	1.0869	2.1060	4.5892	4.9668	2.5932		2.4590	2.5932
H11	2.1057	3.2531	3.9066	3.4845	2.1235	1.0852	5.1154	4.1515	4.1413	2.4590		4.1413
H12	3.7028	3.2902	2.1293	1.0980	2.1530	3.2129	2.6978	4.1764	1.7479	2.5932	4.1413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	125.084	N1	C2	H8	119.544
N1	C6	C5	124.371	N1	C6	H11	113.674
C2	N1	C6	118.661	C2	C3	C4	116.572
C2	C3	O7	120.596	C3	C2	H8	115.372
C3	C4	C5	113.535	C3	C4	H9	107.842
C3	C4	H12	107.842	C4	C3	O7	122.832
C4	C5	C6	121.778	C4	C5	H10	118.107
C5	C4	H9	110.874	C5	C4	H12	110.874
C5	C6	H11	121.955	C6	C5	H10	120.115
H9	C4	H12	105.492

All results from a given calculation for C₅H₅NO (3(4H)-Pyridinone)

using model chemistry: MP3=FULL/6-31G*

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(4H)-Pyridinone)

using model chemistry: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₅H₅NO (3(4H)-Pyridinone)