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	hartrees
Energy at 0K	-322.633668
Energy at 298.15K	-322.640059
HF Energy	-321.613582
Nuclear repulsion energy	273.239967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3699	3515	106.85
2	A₁	3249	3088	0.61
3	A₁	3230	3069	4.31
4	A₁	1744	1657	384.14
5	A₁	1670	1587	0.32
6	A₁	1443	1371	0.80
7	A₁	1215	1154	18.15
8	A₁	1033	981	5.05
9	A₁	1004	955	51.32
10	A₁	824	783	3.89
11	A₁	517	491	6.81
12	A₂	912	867	0.00
13	A₂	790	751	0.00
14	A₂	408	388	0.00
15	B₁	908	863	0.00
16	B₁	835	793	87.41
17	B₁	683	649	28.29
18	B₁	516	491	17.63
19	B₁	381	362	91.58
20	B₁	149	142	0.32
21	B₂	3248	3087	8.73
22	B₂	3230	3069	3.25
23	B₂	1637	1556	5.28
24	B₂	1584	1505	112.78
25	B₂	1440	1368	0.18
26	B₂	1286	1222	8.63
27	B₂	1270	1207	0.54
28	B₂	1086	1032	4.61
29	B₂	623	592	1.27
30	B₂	448	426	4.79

Atom	y (Å)	z (Å)
N1	0.000	-1.733
C2	1.191	-1.053
C3	1.224	0.309
C4	0.000	1.116
C5	-1.224	0.309
C6	-1.191	-1.053
O7	0.000	2.350
H8	2.085	-1.670
H9	2.176	0.829
H10	-2.176	0.829
H11	-2.085	-1.670
H12	0.000	-2.740

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3710	2.3807	2.8489	2.3807	1.3710	4.0829	2.0855	3.3618	3.3618	2.0855	1.0062
C2	1.3710		1.3626	2.4743	2.7722	2.3812	3.6052	1.0857	2.1251	3.8572	3.3326	2.0641
C3	2.3807	1.3626		1.4658	2.4476	2.7722	2.3796	2.1575	1.0851	3.4392	3.8547	3.2848
C4	2.8489	2.4743	1.4658		1.4658	2.4743	1.2340	3.4788	2.1945	2.1945	3.4788	3.8551
C5	2.3807	2.7722	2.4476	1.4658		1.3626	2.3796	3.8547	3.4392	1.0851	2.1575	3.2848
C6	1.3710	2.3812	2.7722	2.4743	1.3626		3.6052	3.3326	3.8572	2.1251	1.0857	2.0641
O7	4.0829	3.6052	2.3796	1.2340	2.3796	3.6052		4.5275	2.6542	2.6542	4.5275	5.0891
H8	2.0855	1.0857	2.1575	3.4788	3.8547	3.3326	4.5275		2.5006	4.9392	4.1691	2.3431
H9	3.3618	2.1251	1.0851	2.1945	3.4392	3.8572	2.6542	2.5006		4.3516	4.9392	4.1799
H10	3.3618	3.8572	3.4392	2.1945	1.0851	2.1251	2.6542	4.9392	4.3516		2.5006	4.1799
H11	2.0855	3.3326	3.8547	3.4788	2.1575	1.0857	4.5275	4.1691	4.9392	2.5006		2.3431
H12	1.0062	2.0641	3.2848	3.8551	3.2848	2.0641	5.0891	2.3431	4.1799	4.1799	2.3431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.125	N1	C2	H8	115.697
N1	C6	C5	121.125	N1	C6	H11	115.697
C2	N1	C6	120.543	C2	N1	H12	119.729
C2	C3	C4	121.998	C2	C3	H9	120.069
C3	C2	H8	123.178	C3	C4	C5	113.212
C3	C4	O7	123.394	C4	C3	H9	117.933
C4	C5	C6	121.998	C4	C5	H10	117.933
C5	C4	O7	123.394	C5	C6	H11	123.178
C6	N1	H12	119.729	C6	C5	H10	120.069

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

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 (4(1H)-Pryidinone)

using model chemistry: MP2/6-311G*

States and conformations

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