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	hartrees
Energy at 0K	-322.667574
Energy at 298.15K	-322.673521
HF Energy	-321.624080
Nuclear repulsion energy	271.362280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3075	3.47
2	A	3205	3038	6.46
3	A	3179	3013	15.79
4	A	3103	2942	2.43
5	A	3072	2912	4.56
6	A	1722	1632	131.14
7	A	1670	1583	8.88
8	A	1646	1560	18.19
9	A	1446	1370	15.24
10	A	1433	1358	11.60
11	A	1399	1326	3.12
12	A	1367	1296	3.79
13	A	1302	1234	12.98
14	A	1240	1176	0.07
15	A	1177	1115	2.48
16	A	1032	978	10.25
17	A	1000	947	17.97
18	A	968	917	11.99
19	A	917	869	0.04
20	A	899	852	5.79
21	A	873	827	0.64
22	A	770	730	7.77
23	A	717	680	34.51
24	A	571	541	4.38
25	A	535	508	4.90
26	A	518	491	5.99
27	A	441	418	17.25
28	A	342	324	14.00
29	A	197	186	5.16
30	A	30	29	0.29

Atom	x (Å)	y (Å)	z (Å)
N1	-1.006	-1.306	-0.000
C2	0.268	-1.229	-0.000
C3	1.094	0.030	-0.000
C4	0.316	1.277	0.000
C5	-1.024	1.219	-0.000
C6	-1.771	-0.076	0.000
O7	2.314	-0.018	0.000
H8	0.850	-2.150	-0.000
H9	0.866	2.211	-0.000
H10	-1.623	2.125	-0.000
H11	-2.433	-0.113	-0.870
H12	-2.433	-0.113	0.870

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2762	2.4889	2.9017	2.5250	1.4485	3.5605	2.0382	3.9834	3.4865	2.0538	2.0538
C2	1.2762		1.5056	2.5067	2.7682	2.3423	2.3770	1.0893	3.4910	3.8507	3.0497	3.0496
C3	2.4889	1.5056		1.4705	2.4297	2.8670	1.2204	2.1936	2.1927	3.4315	3.6363	3.6362
C4	2.9017	2.5067	1.4705		1.3415	2.4869	2.3813	3.4687	1.0831	2.1160	3.2013	3.2013
C5	2.5250	2.7682	2.4297	1.3415		1.4946	3.5602	3.8552	2.1343	1.0862	2.1253	2.1253
C6	1.4485	2.3423	2.8670	2.4869	1.4946		4.0849	3.3417	3.4897	2.2064	1.0944	1.0944
O7	3.5605	2.3770	1.2204	2.3813	3.5602	4.0849		2.5863	2.6580	4.4825	4.8272	4.8271
H8	2.0382	1.0893	2.1936	3.4687	3.8552	3.3417	2.5863		4.3607	4.9389	3.9602	3.9602
H9	3.9834	3.4910	2.1927	1.0831	2.1343	3.4897	2.6580	4.3607		2.4899	4.1280	4.1279
H10	3.4865	3.8507	3.4315	2.1160	1.0862	2.2064	4.4825	4.9389	2.4899		2.5348	2.5349
H11	2.0538	3.0497	3.6363	3.2013	2.1253	1.0944	4.8272	3.9602	4.1280	2.5348		1.7402
H12	2.0538	3.0496	3.6362	3.2013	2.1253	1.0944	4.8271	3.9602	4.1279	2.5349	1.7402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.741	N1	C2	H8	118.791
N1	C6	C5	118.168	N1	C6	H11	106.916
N1	C6	H12	106.916	C2	N1	C6	118.418
C2	C3	C4	114.753	C2	C3	O7	121.021
C3	N1	H8	56.925	C3	C4	C5	119.475
C3	C4	H9	117.528	C4	C3	O7	124.226
C4	C5	C6	122.446	C4	C5	H10	120.937
C5	C4	H9	122.997	C5	C6	H11	109.377
C5	C6	H12	109.377	C6	C5	H10	116.617
H11	C6	H12	105.326

All results from a given calculation for C₅H₅NO (3(6H)-Pyridinone)

using model chemistry: MP2/TZVP

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(6H)-Pyridinone)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₅H₅NO (3(6H)-Pyridinone)