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	hartrees
Energy at 0K	-323.313042
Energy at 298.15K	-323.306311
HF Energy	-323.496085
Nuclear repulsion energy	271.557257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3085	6.31
2	A	3168	3057	11.44
3	A	3116	3007	32.78
4	A	3048	2941	1.30
5	A	3025	2919	4.06
6	A	1774	1712	196.11
7	A	1711	1651	13.34
8	A	1635	1578	13.10
9	A	1422	1373	17.61
10	A	1408	1359	2.91
11	A	1387	1339	10.15
12	A	1321	1274	9.95
13	A	1246	1203	15.89
14	A	1232	1189	4.07
15	A	1150	1110	12.14
16	A	1037	1001	0.09
17	A	1018	983	23.75
18	A	1006	971	1.08
19	A	980	946	9.12
20	A	931	898	1.47
21	A	930	898	7.94
22	A	792	764	26.67
23	A	755	729	10.97
24	A	557	537	6.60
25	A	545	526	0.06
26	A	514	496	8.88
27	A	468	452	3.10
28	A	442	427	15.05
29	A	262	253	2.20
30	A	58	56	10.97

Atom	x (Å)	y (Å)	z (Å)
N1	-1.206	-1.196	-0.000
C2	0.245	-1.253	0.000
C3	1.065	0.037	0.000
C4	0.291	1.290	0.000
C5	-1.052	1.240	0.000
C6	-1.758	-0.046	-0.000
O7	2.280	0.015	-0.000
H8	0.557	-1.853	-0.866
H9	0.851	2.219	0.000
H10	-1.651	2.147	0.000
H11	-2.849	-0.016	-0.000
H12	0.557	-1.853	0.866

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4522	2.5843	2.9021	2.4410	1.2762	3.6905	2.0717	3.9872	3.3724	2.0231	2.0717
C2	1.4522		1.5289	2.5436	2.8105	2.3391	2.3979	1.0987	3.5253	3.8929	3.3324	1.0987
C3	2.5843	1.5289		1.4726	2.4349	2.8244	1.2151	2.1396	2.1929	3.4389	3.9144	2.1396
C4	2.9021	2.5436	1.4726		1.3441	2.4460	2.3623	3.2705	1.0852	2.1225	3.4007	3.2705
C5	2.4410	2.8105	2.4349	1.3441		1.4668	3.5499	3.5923	2.1403	1.0866	2.1922	3.5923
C6	1.2762	2.3391	2.8244	2.4460	1.4668		4.0386	3.0624	3.4552	2.1950	1.0913	3.0624
O7	3.6905	2.3979	1.2151	2.3623	3.5499	4.0386		2.6841	2.6269	4.4714	5.1290	2.6842
H8	2.0717	1.0987	2.1396	3.2705	3.5923	3.0624	2.6841		4.1734	4.6499	3.9661	1.7324
H9	3.9872	3.5253	2.1929	1.0852	2.1403	3.4552	2.6269	4.1734		2.5027	4.3226	4.1734
H10	3.3724	3.8929	3.4389	2.1225	1.0866	2.1950	4.4714	4.6499	2.5027		2.4721	4.6499
H11	2.0231	3.3324	3.9144	3.4007	2.1922	1.0913	5.1290	3.9661	4.3226	2.4721		3.9661
H12	2.0717	1.0987	2.1396	3.2705	3.5923	3.0624	2.6842	1.7324	4.1734	4.6499	3.9661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	119.924	N1	C2	H8	107.844
N1	C2	H12	107.844	N1	C6	C5	125.362
N1	C6	H11	117.864	C2	N1	C6	118.511
C2	C3	C4	115.709	C2	C3	O7	121.569
C3	C2	H8	107.792	C3	C2	H12	107.792
C3	C4	C5	119.772	C3	C4	H9	116.810
C4	C3	O7	122.722	C4	C5	C6	120.721
C4	C5	H10	121.709	C5	C4	H9	123.418
C5	C6	H11	116.774	C6	C5	H10	117.571
H8	C2	H12	104.634

All results from a given calculation for C₅H₅NO (3(2H)-Pyridinone)

using model chemistry: G4

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(2H)-Pyridinone)

using model chemistry: G4

States and conformations

All results from a given calculation for C₅H₅NO (3(2H)-Pyridinone)