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	hartrees
Energy at 0K	-322.902825
Energy at 298.15K	-322.909494
HF Energy	-321.691343
Nuclear repulsion energy	275.639036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3616	3441	76.65
2	A'	3275	3116	1.21
3	A'	3254	3096	0.80
4	A'	3246	3088	1.18
5	A'	3216	3060	7.07
6	A'	1764	1679	531.03
7	A'	1664	1583	62.48
8	A'	1591	1514	26.42
9	A'	1501	1429	3.24
10	A'	1458	1387	2.68
11	A'	1398	1331	1.14
12	A'	1276	1214	21.84
13	A'	1229	1170	10.90
14	A'	1170	1113	16.25
15	A'	1111	1057	16.82
16	A'	1032	982	2.17
17	A'	998	949	18.38
18	A'	829	789	8.70
19	A'	611	581	0.48
20	A'	542	516	5.52
21	A'	450	428	6.42
22	A"	986	938	0.15
23	A"	925	880	0.04
24	A"	854	813	11.61
25	A"	769	732	74.09
26	A"	738	703	5.74
27	A"	703	669	34.54
28	A"	492	468	34.49
29	A"	388	369	1.30
30	A"	170	162	2.84

Atom	x (Å)	y (Å)
N1	-1.130	0.235
C2	0.000	1.064
C3	1.239	0.320
C4	1.260	-1.045
C5	0.059	-1.801
C6	-1.122	-1.124
O7	-0.130	2.284
H8	2.147	0.903
H9	2.211	-1.561
H10	0.066	-2.878
H11	-2.088	-1.607
H12	-2.007	0.737

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4011	2.3702	2.7117	2.3581	1.3597	2.2802	3.3448	3.7934	3.3354	2.0763	1.0103
C2	1.4011		1.4447	2.4566	2.8650	2.4591	1.2275	2.1535	3.4317	3.9423	3.3898	2.0334
C3	2.3702	1.4447		1.3654	2.4267	2.7678	2.3937	1.0796	2.1174	3.4063	3.8443	3.2723
C4	2.7117	2.4566	1.3654		1.4188	2.3840	3.6078	2.1405	1.0818	2.1876	3.3950	3.7217
C5	2.3581	2.8650	2.4267	1.4188		1.3617	4.0894	3.4161	2.1652	1.0773	2.1561	3.2726
C6	1.3597	2.4591	2.7678	2.3840	1.3617		3.5503	3.8473	3.3621	2.1186	1.0794	2.0608
O7	2.2802	1.2275	2.3937	3.6078	4.0894	3.5503		2.6633	4.5014	5.1661	4.3561	2.4330
H8	3.3448	2.1535	1.0796	2.1405	3.4161	3.8473	2.6633		2.4644	4.3159	4.9231	4.1578
H9	3.7934	3.4317	2.1174	1.0818	2.1652	3.3621	4.5014	2.4644		2.5173	4.2994	4.8034
H10	3.3354	3.9423	3.4063	2.1876	1.0773	2.1186	5.1661	4.3159	2.5173		2.5013	4.1673
H11	2.0763	3.3898	3.8443	3.3950	2.1561	1.0794	4.3561	4.9231	4.2994	2.5013		2.3451
H12	1.0103	2.0334	3.2723	3.7217	3.2726	2.0608	2.4330	4.1578	4.8034	4.1673	2.3451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	112.785	N1	C2	O7	120.182
N1	C6	C5	120.109	N1	C6	H11	116.228
C2	N1	C6	125.916	C2	N1	H12	113.996
C2	C3	C4	121.883	C2	C3	H8	116.356
C3	C2	O7	127.032	C3	C4	C5	121.274
C3	C4	H9	119.371	C4	C3	H8	121.761
C4	C5	C6	118.032	C4	C5	H10	121.821
C5	C4	H9	119.355	C5	C6	H11	123.664
C6	N1	H12	120.088	C6	C5	H10	120.147

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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