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	hartrees
Energy at 0K	-322.650554
Energy at 298.15K	-322.657114
HF Energy	-321.630213
Nuclear repulsion energy	274.665160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3635	3454	60.76
2	A'	3264	3102	3.71
3	A'	3246	3084	2.63
4	A'	3236	3075	2.91
5	A'	3208	3049	10.64
6	A'	1800	1711	487.00
7	A'	1674	1590	52.27
8	A'	1600	1521	26.50
9	A'	1517	1441	2.58
10	A'	1474	1400	3.00
11	A'	1406	1336	0.39
12	A'	1282	1218	26.32
13	A'	1241	1179	8.69
14	A'	1179	1120	16.01
15	A'	1116	1061	21.20
16	A'	1032	981	1.97
17	A'	1001	951	17.13
18	A'	830	788	7.87
19	A'	614	584	0.48
20	A'	546	519	4.90
21	A'	450	428	7.06
22	A"	932	886	0.69
23	A"	874	831	0.04
24	A"	834	793	21.79
25	A"	754	717	118.91
26	A"	721	685	2.25
27	A"	661	628	19.27
28	A"	465	442	44.46
29	A"	375	356	1.27
30	A"	163	155	1.75

Atom	x (Å)	y (Å)
N1	-1.135	0.237
C2	0.000	1.072
C3	1.243	0.320
C4	1.265	-1.050
C5	0.057	-1.809
C6	-1.128	-1.127
O7	-0.126	2.291
H8	2.155	0.908
H9	2.220	-1.570
H10	0.066	-2.892
H11	-2.098	-1.614
H12	-2.013	0.741

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4089	2.3798	2.7239	2.3683	1.3648	2.2882	3.3580	3.8116	3.3515	2.0867	1.0115
C2	1.4089		1.4528	2.4704	2.8810	2.4716	1.2259	2.1615	3.4514	3.9639	3.4081	2.0397
C3	2.3798	1.4528		1.3701	2.4365	2.7778	2.4004	1.0850	2.1281	3.4205	3.8606	3.2828
C4	2.7239	2.4704	1.3701		1.4262	2.3943	3.6195	2.1504	1.0878	2.1976	3.4104	3.7351
C5	2.3683	2.8810	2.4365	1.4262		1.3671	4.1040	3.4320	2.1760	1.0829	2.1645	3.2840
C6	1.3648	2.4716	2.7778	2.3943	1.3671		3.5623	3.8626	3.3775	2.1300	1.0855	2.0670
O7	2.2882	1.2259	2.4004	3.6195	4.1040	3.5623		2.6685	4.5189	5.1863	4.3746	2.4416
H8	3.3580	2.1615	1.0850	2.1504	3.4320	3.8626	2.6685		2.4789	4.3357	4.9446	4.1712
H9	3.8116	3.4514	2.1281	1.0878	2.1760	3.3775	4.5189	2.4789		2.5273	4.3189	4.8229
H10	3.3515	3.9639	3.4205	2.1976	1.0829	2.1300	5.1863	4.3357	2.5273		2.5132	4.1849
H11	2.0867	3.4081	3.8606	3.4104	2.1645	1.0855	4.3746	4.9446	4.3189	2.5132		2.3560
H12	1.0115	2.0397	3.2828	3.7351	3.2840	2.0670	2.4416	4.1712	4.8229	4.1849	2.3560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	112.515	N1	C2	O7	120.395
N1	C6	C5	120.196	N1	C6	H11	116.309
C2	N1	C6	126.009	C2	N1	H12	113.843
C2	C3	C4	122.090	C2	C3	H8	116.042
C3	C2	O7	127.090	C3	C4	C5	121.211
C3	C4	H9	119.506	C4	C3	H8	121.868
C4	C5	C6	117.979	C4	C5	H10	121.690
C5	C4	H9	119.283	C5	C6	H11	123.494
C6	N1	H12	120.148	C6	C5	H10	120.332

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

using model chemistry: MP2/6-311G*

States and conformations

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