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	hartrees
Energy at 0K	-322.613223
Energy at 298.15K	-322.619387
HF Energy	-321.599960
Nuclear repulsion energy	271.716434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3076	4.82
2	A'	3201	3042	7.06
3	A'	3137	2982	35.11
4	A'	3054	2902	3.49
5	A'	1765	1677	175.31
6	A'	1697	1613	21.18
7	A'	1657	1575	46.78
8	A'	1468	1395	21.30
9	A'	1434	1362	18.39
10	A'	1423	1352	46.15
11	A'	1389	1320	7.50
12	A'	1248	1186	52.12
13	A'	1156	1099	31.68
14	A'	1017	966	3.76
15	A'	956	909	16.72
16	A'	905	860	5.41
17	A'	778	740	9.63
18	A'	589	560	0.13
19	A'	541	514	1.52
20	A'	467	444	3.25
21	A"	3087	2933	2.95
22	A"	1222	1161	0.02
23	A"	1019	968	11.99
24	A"	967	919	0.73
25	A"	860	817	18.15
26	A"	792	753	27.36
27	A"	593	564	8.09
28	A"	362	344	1.28
29	A"	268	255	2.68
30	A"	27	26	0.05

Atom	x (Å)	y (Å)	z (Å)
N1	-1.265	0.405	0.000
C2	0.000	1.085	0.000
C3	1.248	0.286	0.000
C4	1.229	-1.058	0.000
C5	-0.068	-1.795	0.000
C6	-1.260	-0.879	0.000
O7	0.019	2.300	0.000
H8	2.173	0.855	0.000
H9	2.153	-1.632	0.000
H10	-0.138	-2.464	0.870
H11	-2.240	-1.366	0.000
H12	-0.138	-2.464	-0.870

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4359	2.5157	2.8914	2.5049	1.2847	2.2890	3.4672	3.9795	3.2031	2.0218	3.2031
C2	1.4359		1.4815	2.4703	2.8808	2.3335	1.2156	2.1850	3.4669	3.6566	3.3202	3.6566
C3	2.5157	1.4815		1.3447	2.4625	2.7653	2.3594	1.0860	2.1215	3.2005	3.8594	3.2005
C4	2.8914	2.4703	1.3447		1.4913	2.4948	3.5698	2.1339	1.0883	2.1451	3.4822	2.1451
C5	2.5049	2.8808	2.4625	1.4913		1.5029	4.0963	3.4707	2.2272	1.0998	2.2140	1.0998
C6	1.2847	2.3335	2.7653	2.4948	1.5029		3.4272	3.8460	3.4951	2.1274	1.0943	2.1274
O7	2.2890	1.2156	2.3594	3.5698	4.0963	3.4272		2.5938	4.4745	4.8457	4.3062	4.8457
H8	3.4672	2.1850	1.0860	2.1339	3.4707	3.8460	2.5938		2.4876	4.1372	4.9403	4.1372
H9	3.9795	3.4669	2.1215	1.0883	2.2272	3.4951	4.4745	2.4876		2.5884	4.4013	2.5884
H10	3.2031	3.6566	3.2005	2.1451	1.0998	2.1274	4.8457	4.1372	2.5884		2.5260	1.7401
H11	2.0218	3.3202	3.8594	3.4822	2.2140	1.0943	4.3062	4.9403	4.4013	2.5260		2.5260
H12	3.2031	3.6566	3.2005	2.1451	1.0998	2.1274	4.8457	4.1372	2.5884	1.7401	2.5260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	119.140	N1	C2	O7	119.135
N1	C6	C5	127.770	N1	C6	H11	116.161
C2	N1	C6	118.012	C2	C3	C4	121.794
C2	C3	H8	115.791	C3	C2	O7	121.725
C3	C4	C5	120.430	C3	C4	H9	121.009
C4	C3	H8	122.416	C4	C5	C6	112.854
C4	C5	H10	110.857	C4	C5	H12	110.857
C5	C4	H9	118.561	C5	C6	H11	116.068
C6	C5	H10	108.662	C6	C5	H12	108.662
H10	C5	H12	104.587

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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