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	hartrees
Energy at 0K	-319.940645
Energy at 298.15K	-319.946923
HF Energy	-319.940645
Nuclear repulsion energy	273.082027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3156	3099	3.20
2	A	3117	3061	1.00
3	A	3050	2994	25.37
4	A	3048	2993	6.56
5	A	2929	2876	2.73
6	A	1744	1713	129.23
7	A	1664	1634	46.35
8	A	1540	1512	93.23
9	A	1400	1375	30.43
10	A	1395	1369	21.39
11	A	1380	1355	18.27
12	A	1281	1258	12.38
13	A	1192	1170	14.56
14	A	1167	1146	5.44
15	A	1111	1091	44.49
16	A	1008	990	2.65
17	A	992	974	6.03
18	A	980	962	1.70
19	A	963	945	18.92
20	A	942	925	29.08
21	A	905	889	5.91
22	A	767	753	1.88
23	A	699	687	72.60
24	A	622	610	1.98
25	A	575	565	0.26
26	A	520	511	0.60
27	A	450	442	3.21
28	A	423	415	5.37
29	A	270	266	3.48
30	A	92	90	2.80

Atom	x (Å)	y (Å)	z (Å)
N1	0.346	-1.276	0.086
C2	1.055	-0.051	0.014
C3	0.271	1.256	0.135
C4	-1.209	1.129	-0.025
C5	-1.780	-0.075	-0.089
C6	-0.936	-1.263	0.021
O7	2.260	-0.038	-0.119
H8	0.662	1.911	-0.774
H9	-1.798	2.043	-0.073
H10	-2.852	-0.212	-0.196
H11	-1.450	-2.227	0.062
H12	0.530	1.746	0.991

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4176	2.5336	2.8666	2.4488	1.2838	2.2888	3.3165	3.9552	3.3826	2.0323	3.1608
C2	1.4176		1.5285	2.5531	2.8373	2.3310	1.2123	2.1506	3.5400	3.9160	3.3185	2.1118
C3	2.5336	1.5285		1.4935	2.4553	2.7951	2.3861	1.1874	2.2233	3.4663	3.8851	1.0202
C4	2.8666	2.5531	1.4935		1.3347	2.4083	3.6608	2.1613	1.0886	2.1280	3.3661	2.1064
C5	2.4488	2.8373	2.4553	1.3347		1.4618	4.0406	3.2214	2.1186	1.0856	2.1824	3.1343
C6	1.2838	2.3310	2.7951	2.4083	1.4618		3.4256	3.6415	3.4183	2.1964	1.0931	3.4852
O7	2.2888	1.2123	2.3861	3.6608	4.0406	3.4256		2.6041	4.5605	5.1156	4.3114	2.7214
H8	3.3165	2.1506	1.1874	2.1613	3.2214	3.6415	2.6041		2.5611	4.1458	4.7204	1.7781
H9	3.9552	3.5400	2.2233	1.0886	2.1186	3.4183	4.5605	2.5611		2.4925	4.2867	2.5769
H10	3.3826	3.9160	3.4663	2.1280	1.0856	2.1964	5.1156	4.1458	2.4925		2.4686	4.0845
H11	2.0323	3.3185	3.8851	3.3661	2.1824	1.0931	4.3114	4.7204	4.2867	2.4686		4.5356
H12	3.1608	2.1118	1.0202	2.1064	3.1343	3.4852	2.7214	1.7781	2.5769	4.0845	4.5356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	118.583	N1	C2	O7	120.784
N1	C6	C5	126.099	N1	C6	H11	117.294
C2	N1	C6	119.195	C2	C3	C4	115.309
C2	C3	H8	104.013	C2	C3	H12	110.312
C3	C2	O7	120.622	C3	C4	C5	120.384
C3	C4	H9	118.026	C4	C3	H8	106.901
C4	C3	H12	112.492	C4	C5	C6	118.832
C4	C5	H10	122.767	C5	C4	H9	121.585
C5	C6	H11	116.605	C6	C5	H10	118.382
H8	C3	H12	107.067

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

using model chemistry: SVWN/3-21G

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(3H)-Pyridinone)

using model chemistry: SVWN/3-21G

States and conformations

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