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	hartrees
Energy at 0K	-322.493061
Energy at 298.15K	-322.499263
HF Energy	-321.532946
Nuclear repulsion energy	271.517638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3074	3.60
2	A'	3226	3042	6.21
3	A'	3163	2983	32.85
4	A'	3071	2896	2.42
5	A'	1773	1672	162.93
6	A'	1718	1620	11.64
7	A'	1675	1580	51.21
8	A'	1496	1410	19.46
9	A'	1454	1371	13.97
10	A'	1442	1360	42.10
11	A'	1410	1330	8.14
12	A'	1266	1194	54.13
13	A'	1175	1108	28.04
14	A'	1030	971	2.44
15	A'	968	913	17.49
16	A'	915	863	4.87
17	A'	786	741	8.74
18	A'	594	561	0.18
19	A'	543	512	1.64
20	A'	468	441	3.42
21	A"	3105	2928	2.54
22	A"	1230	1160	0.02
23	A"	1040	980	7.91
24	A"	977	922	0.24
25	A"	863	814	14.32
26	A"	792	747	32.72
27	A"	600	565	4.19
28	A"	364	343	1.42
29	A"	276	260	2.87
30	A"	39	37	0.02

Atom	x (Å)	y (Å)	z (Å)
N1	-1.264	0.401	0.000
C2	0.000	1.084	0.000
C3	1.247	0.289	0.000
C4	1.228	-1.055	0.000
C5	-0.065	-1.797	0.000
C6	-1.258	-0.886	0.000
O7	0.015	2.308	0.000
H8	2.172	0.859	0.000
H9	2.152	-1.629	0.000
H10	-0.133	-2.467	0.871
H11	-2.236	-1.378	0.000
H12	-0.133	-2.467	-0.871

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4370	2.5143	2.8861	2.5042	1.2875	2.2958	3.4666	3.9741	3.2036	2.0273	3.2036
C2	1.4370		1.4793	2.4663	2.8820	2.3378	1.2238	2.1836	3.4632	3.6585	3.3259	3.6585
C3	2.5143	1.4793		1.3440	2.4645	2.7673	2.3656	1.0861	2.1208	3.2027	3.8614	3.2027
C4	2.8861	2.4663	1.3440		1.4904	2.4913	3.5749	2.1341	1.0882	2.1453	3.4781	2.1453
C5	2.5042	2.8820	2.4645	1.4904		1.5010	4.1057	3.4724	2.2230	1.1006	2.2106	1.1006
C6	1.2875	2.3378	2.7673	2.4913	1.5010		3.4383	3.8484	3.4898	2.1264	1.0944	2.1264
O7	2.2958	1.2238	2.3656	3.5749	4.1057	3.4383		2.5989	4.4800	4.8555	4.3186	4.8555
H8	3.4666	2.1836	1.0861	2.1341	3.4724	3.8484	2.5989		2.4884	4.1389	4.9428	4.1389
H9	3.9741	3.4632	2.1208	1.0882	2.2230	3.4898	4.4800	2.4884		2.5844	4.3945	2.5844
H10	3.2036	3.6585	3.2027	2.1453	1.1006	2.1264	4.8555	4.1389	2.5844		2.5226	1.7416
H11	2.0273	3.3259	3.8614	3.4781	2.2106	1.0944	4.3186	4.9428	4.3945	2.5226		2.5226
H12	3.2036	3.6585	3.2027	2.1453	1.1006	2.1264	4.8555	4.1389	2.5844	1.7416	2.5226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	119.106	N1	C2	O7	119.056
N1	C6	C5	127.640	N1	C6	H11	116.438
C2	N1	C6	118.095	C2	C3	C4	121.670
C2	C3	H8	115.833	C3	C2	O7	121.838
C3	C4	C5	120.713	C3	C4	H9	121.019
C4	C3	H8	122.497	C4	C5	C6	112.776
C4	C5	H10	110.892	C4	C5	H12	110.892
C5	C4	H9	118.268	C5	C6	H11	115.921
C6	C5	H10	108.663	C6	C5	H12	108.663
H10	C5	H12	104.599

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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