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	hartrees
Energy at 0K	-323.526648
Energy at 298.15K	-323.533184
HF Energy	-323.526648
Nuclear repulsion energy	273.914711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3670	3541	92.66
2	A₁	3219	3107	0.11
3	A₁	3197	3085	5.67
4	A₁	1737	1676	447.56
5	A₁	1679	1620	7.39
6	A₁	1434	1384	0.29
7	A₁	1202	1160	12.18
8	A₁	1018	982	1.37
9	A₁	999	964	45.43
10	A₁	810	782	3.47
11	A₁	518	500	8.12
12	A₂	961	927	0.00
13	A₂	815	786	0.00
14	A₂	422	407	0.00
15	B₁	969	935	0.61
16	B₁	868	838	53.07
17	B₁	732	707	12.59
18	B₁	527	508	29.07
19	B₁	425	411	59.65
20	B₁	166	160	0.78
21	B₂	3218	3105	9.24
22	B₂	3196	3084	4.64
23	B₂	1626	1569	3.53
24	B₂	1532	1478	93.19
25	B₂	1409	1360	0.00
26	B₂	1260	1216	7.85
27	B₂	1239	1196	3.75
28	B₂	1071	1034	2.76
29	B₂	621	600	1.07
30	B₂	453	437	5.13

Atom	y (Å)	z (Å)
N1	0.000	-1.726
C2	1.190	-1.047
C3	1.225	0.305
C4	0.000	1.113
C5	-1.225	0.305
C6	-1.190	-1.047
O7	0.000	2.339
H8	2.080	-1.666
H9	2.176	0.825
H10	-2.176	0.825
H11	-2.080	-1.666
H12	0.000	-2.732

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3707	2.3726	2.8390	2.3726	1.3707	4.0657	2.0805	3.3532	3.3532	2.0805	1.0054
C2	1.3707		1.3524	2.4656	2.7683	2.3806	3.5891	1.0838	2.1153	3.8514	3.3281	2.0631
C3	2.3726	1.3524		1.4675	2.4509	2.7683	2.3747	2.1485	1.0831	3.4406	3.8483	3.2750
C4	2.8390	2.4656	1.4675		1.4675	2.4656	1.2267	3.4708	2.1945	2.1945	3.4708	3.8444
C5	2.3726	2.7683	2.4509	1.4675		1.3524	2.3747	3.8483	3.4406	1.0831	2.1485	3.2750
C6	1.3707	2.3806	2.7683	2.4656	1.3524		3.5891	3.3281	3.8514	2.1153	1.0838	2.0631
O7	4.0657	3.5891	2.3747	1.2267	2.3747	3.5891		4.5131	2.6506	2.6506	4.5131	5.0711
H8	2.0805	1.0838	2.1485	3.4708	3.8483	3.3281	4.5131		2.4932	4.9309	4.1592	2.3367
H9	3.3532	2.1153	1.0831	2.1945	3.4406	3.8514	2.6506	2.4932		4.3512	4.9309	4.1696
H10	3.3532	3.8514	3.4406	2.1945	1.0831	2.1153	2.6506	4.9309	4.3512		2.4932	4.1696
H11	2.0805	3.3281	3.8483	3.4708	2.1485	1.0838	4.5131	4.1592	4.9309	2.4932		2.3367
H12	1.0054	2.0631	3.2750	3.8444	3.2750	2.0631	5.0711	2.3367	4.1696	4.1696	2.3367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.218	N1	C2	H8	115.410
N1	C6	C5	121.218	N1	C6	H11	115.410
C2	N1	C6	120.542	C2	N1	H12	119.729
C2	C3	C4	121.889	C2	C3	H9	120.177
C3	C2	H8	123.372	C3	C4	C5	113.244
C3	C4	O7	123.378	C4	C3	H9	117.934
C4	C5	C6	121.889	C4	C5	H10	117.934
C5	C4	O7	123.378	C5	C6	H11	123.372
C6	N1	H12	119.729	C6	C5	H10	120.177

All results from a given calculation for C₅H₅NO (4(1H)-Pryidinone)

using model chemistry: B3LYP/6-31G(2df,p)

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 (4(1H)-Pryidinone)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₅NO (4(1H)-Pryidinone)