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	hartrees
Energy at 0K	-322.712953
Energy at 298.15K
HF Energy	-321.667473
Nuclear repulsion energy	275.278402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3618	3430	71.19
2	A'	3280	3109	2.21
3	A'	3261	3092	1.71
4	A'	3253	3084	1.67
5	A'	3225	3057	8.55
6	A'	1767	1675	539.92
7	A'	1668	1581	63.16
8	A'	1595	1511	27.43
9	A'	1505	1427	3.43
10	A'	1464	1388	3.67
11	A'	1404	1331	0.72
12	A'	1273	1206	23.91
13	A'	1239	1175	9.47
14	A'	1177	1116	19.02
15	A'	1115	1057	19.11
16	A'	1031	977	2.08
17	A'	996	944	18.63
18	A'	827	784	9.99
19	A'	615	583	0.56
20	A'	546	518	5.23
21	A'	456	432	6.02
22	A"	798	756	2.00
23	A"	770	730	15.89
24	A"	705	669	0.01
25	A"	685	650	101.88
26	A"	600	568	13.53
27	A"	497	471	33.50
28	A"	264	250	10.91
29	A"	81	76	1.80
30	A"	649i	615i	2.39

Atom	x (Å)	y (Å)
N1	-1.134	0.248
C2	0.000	1.069
C3	1.243	0.306
C4	1.256	-1.055
C5	0.040	-1.806
C6	-1.131	-1.120
O7	-0.099	2.290
H8	2.154	0.889
H9	2.201	-1.587
H10	0.047	-2.885
H11	-2.104	-1.595
H12	-2.014	0.748

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4002	2.3782	2.7224	2.3660	1.3685	2.2896	3.3499	3.8065	3.3481	2.0827	1.0115
C2	1.4002		1.4584	2.4673	2.8750	2.4643	1.2250	2.1610	3.4490	3.9539	3.3946	2.0391
C3	2.3782	1.4584		1.3610	2.4305	2.7700	2.3949	1.0812	2.1214	3.4078	3.8492	3.2866
C4	2.7224	2.4673	1.3610		1.4290	2.3882	3.6086	2.1414	1.0842	2.1934	3.4029	3.7338
C5	2.3660	2.8750	2.4305	1.4290		1.3573	4.0981	3.4249	2.1716	1.0790	2.1542	3.2773
C6	1.3685	2.4643	2.7700	2.3882	1.3573		3.5633	3.8509	3.3645	2.1215	1.0822	2.0664
O7	2.2896	1.2250	2.3949	3.6086	4.0981	3.5633		2.6521	4.5073	5.1767	4.3721	2.4586
H8	3.3499	2.1610	1.0812	2.1414	3.4249	3.8509	2.6521		2.4766	4.3223	4.9293	4.1696
H9	3.8065	3.4490	2.1214	1.0842	2.1716	3.3645	4.5073	2.4766		2.5148	4.3044	4.8180
H10	3.3481	3.9539	3.4078	2.1934	1.0790	2.1215	5.1767	4.3223	2.5148		2.5073	4.1765
H11	2.0827	3.3946	3.8492	3.4029	2.1542	1.0822	4.3721	4.9293	4.3044	2.5073		2.3452
H12	1.0115	2.0391	3.2866	3.7338	3.2773	2.0664	2.4586	4.1696	4.8180	4.1765	2.3452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	112.577	N1	C2	O7	121.273
N1	C6	C5	120.459	N1	C6	H11	115.904
C2	N1	C6	125.761	C2	N1	H12	114.486
C2	C3	C4	122.076	C2	C3	H8	115.824
C3	C2	O7	126.150	C3	C4	C5	121.162
C3	C4	H9	119.926	C4	C3	H8	122.100
C4	C5	C6	117.965	C4	C5	H10	121.359
C5	C4	H9	118.913	C5	C6	H11	123.637
C6	N1	H12	119.754	C6	C5	H10	120.676

All results from a given calculation for C₅H₅NO (2(1H)-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 (2(1H)-Pyridinone)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₅H₅NO (2(1H)-Pyridinone)