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	hartrees
Energy at 0K	-322.606135
Energy at 298.15K	-322.612416
HF Energy	-321.589919
Nuclear repulsion energy	270.715151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3068	4.60
2	A'	3189	3030	8.36
3	A'	3166	3008	19.50
4	A'	3064	2911	4.58
5	A'	1742	1656	121.99
6	A'	1672	1589	4.45
7	A'	1651	1569	17.92
8	A'	1469	1396	18.57
9	A'	1433	1362	13.30
10	A'	1394	1325	1.71
11	A'	1358	1291	2.45
12	A'	1301	1237	10.52
13	A'	1176	1117	2.84
14	A'	1036	984	12.19
15	A'	971	923	13.95
16	A'	901	857	5.92
17	A'	770	732	7.18
18	A'	571	542	4.62
19	A'	516	490	6.30
20	A'	436	414	19.39
21	A"	3096	2942	3.42
22	A"	1263	1200	0.11
23	A"	1015	964	15.57
24	A"	964	916	6.80
25	A"	926	880	2.18
26	A"	794	755	29.30
27	A"	577	549	12.69
28	A"	366	348	10.38
29	A"	283	269	7.53
30	A"	100	95	0.17

Atom	x (Å)	y (Å)	z (Å)
N1	-1.283	-1.046	0.000
C2	-1.235	0.238	0.000
C3	0.000	1.092	0.000
C4	1.271	0.356	0.000
C5	1.250	-0.992	0.000
C6	-0.026	-1.772	0.000
O7	-0.085	2.314	0.000
H8	-2.177	0.791	0.000
H9	2.192	0.933	0.000
H10	2.179	-1.562	0.000
H11	-0.050	-2.444	0.869
H12	-0.050	-2.444	-0.869

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2846	2.4926	2.9132	2.5338	1.4519	3.5670	2.0429	3.9987	3.5001	2.0572	2.0572
C2	1.2846		1.5010	2.5087	2.7730	2.3458	2.3732	1.0926	3.4966	3.8594	3.0586	3.0586
C3	2.4926	1.5010		1.4689	2.4301	2.8638	1.2258	2.1976	2.1979	3.4338	3.6415	3.6415
C4	2.9132	2.5087	1.4689		1.3479	2.4919	2.3826	3.4756	1.0869	2.1219	3.2156	3.2156
C5	2.5338	2.7730	2.4301	1.3479		1.4958	3.5661	3.8636	2.1430	1.0896	2.1341	2.1341
C6	1.4519	2.3458	2.8638	2.4919	1.4958		4.0870	3.3464	3.4981	2.2146	1.0987	1.0987
O7	3.5670	2.3732	1.2258	2.3826	3.5661	4.0870		2.5875	2.6638	4.4895	4.8376	4.8376
H8	2.0429	1.0926	2.1976	3.4756	3.8636	3.3464	2.5875		4.3715	4.9510	3.9685	3.9685
H9	3.9987	3.4966	2.1979	1.0869	2.1430	3.4981	2.6638	4.3715		2.4952	4.1457	4.1457
H10	3.5001	3.8594	3.4338	2.1219	1.0896	2.2146	4.4895	4.9510	2.4952		2.5494	2.5494
H11	2.0572	3.0586	3.6415	3.2156	2.1341	1.0987	4.8376	3.9685	4.1457	2.5494		1.7373
H12	2.0572	3.0586	3.6415	3.2156	2.1341	1.0987	4.8376	3.9685	4.1457	2.5494	1.7373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.796	N1	C2	H8	118.266
N1	C6	C5	118.538	N1	C6	H11	106.701
N1	C6	H12	106.701	C2	N1	C6	117.884
C2	C3	C4	115.281	C2	C3	O7	120.659
C3	N1	H8	56.932	C3	C4	C5	119.185
C3	C4	H9	117.853	C4	C3	O7	124.060
C4	C5	C6	122.317	C4	C5	H10	120.674
C5	C4	H9	122.961	C5	C6	H11	109.737
C5	C6	H12	109.737	C6	C5	H10	117.008
H11	C6	H12	104.485

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

using model chemistry: MP2/6-311G*

States and conformations

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