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	hartrees
Energy at 0K	-322.613374
Energy at 298.15K	-322.619721
HF Energy	-321.596461
Nuclear repulsion energy	273.663670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3077	11.28
2	A	3210	3050	3.41
3	A	3159	3002	0.17
4	A	3157	3000	33.66
5	A	3044	2892	1.28
6	A	1797	1708	190.63
7	A	1684	1600	23.72
8	A	1606	1526	48.24
9	A	1469	1396	22.67
10	A	1432	1361	27.80
11	A	1408	1338	8.67
12	A	1336	1270	8.55
13	A	1245	1183	39.04
14	A	1185	1126	0.97
15	A	1150	1093	32.79
16	A	1012	962	1.57
17	A	1003	953	10.13
18	A	984	935	25.08
19	A	966	918	1.43
20	A	943	896	6.49
21	A	926	880	3.08
22	A	779	740	5.44
23	A	709	673	71.05
24	A	645	613	0.50
25	A	571	542	0.69
26	A	533	507	0.97
27	A	464	441	2.04
28	A	412	392	2.55
29	A	272	259	1.84
30	A	98	93	1.95

Atom	x (Å)	y (Å)	z (Å)
N1	0.373	-1.284	0.165
C2	1.042	-0.036	0.004
C3	0.254	1.252	0.217
C4	-1.208	1.134	-0.074
C5	-1.762	-0.090	-0.167
C6	-0.917	-1.269	0.050
O7	2.231	-0.015	-0.230
H8	0.731	2.030	-0.387
H9	-1.805	2.039	-0.164
H10	-2.823	-0.231	-0.346
H11	-1.414	-2.238	0.140
H12	0.397	1.563	1.263

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4245	2.5395	2.8987	2.4687	1.2948	2.2841	3.3784	3.9869	3.4041	2.0260	3.0510
C2	1.4245		1.5256	2.5376	2.8098	2.3146	1.2122	2.1259	3.5273	3.8862	3.3010	2.1350
C3	2.5395	1.5256		1.4954	2.4521	2.7849	2.3910	1.0939	2.2365	3.4622	3.8690	1.1011
C4	2.8987	2.5376	1.4954		1.3464	2.4238	3.6298	2.1591	1.0881	2.1320	3.3846	2.1330
C5	2.4687	2.8098	2.4521	1.3464		1.4672	3.9945	3.2798	2.1297	1.0856	2.1974	3.0722
C6	1.2948	2.3146	2.7849	2.4238	1.4672		3.3997	3.7133	3.4324	2.2070	1.0926	3.3492
O7	2.2841	1.2122	2.3910	3.6298	3.9945	3.3997		2.5415	4.5295	5.0606	4.2852	2.8432
H8	3.3784	2.1259	1.0939	2.1591	3.2798	3.7133	2.5415		2.5456	4.2126	4.8053	1.7476
H9	3.9869	3.5273	2.2365	1.0881	2.1297	3.4324	4.5295	2.5456		2.4951	4.3057	2.6670
H10	3.4041	3.8862	3.4622	2.1320	1.0856	2.2070	5.0606	4.2126	2.4951		2.4999	4.0224
H11	2.0260	3.3010	3.8690	3.3846	2.1974	1.0926	4.2852	4.8053	4.3057	2.4999		4.3573
H12	3.0510	2.1350	1.1011	2.1330	3.0722	3.3492	2.8432	1.7476	2.6670	4.0224	4.3573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	118.776	N1	C2	O7	119.844
N1	C6	C5	126.600	N1	C6	H11	115.859
C2	N1	C6	116.598	C2	C3	C4	114.273
C2	C3	H8	107.348	C2	C3	H12	107.643
C3	C2	O7	121.273	C3	C4	C5	119.187
C3	C4	H9	119.084	C4	C3	H8	112.058
C4	C3	H12	109.530	C4	C5	C6	118.900
C4	C5	H10	122.119	C5	C4	H9	121.680
C5	C6	H11	117.534	C6	C5	H10	118.905
H8	C3	H12	105.535

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

using model chemistry: MP2/6-311G*

States and conformations

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