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	hartrees
Energy at 0K	-322.886902
Energy at 298.15K	-322.893425
HF Energy	-321.675765
Nuclear repulsion energy	274.231133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3687	3508	129.79
2	A₁	3257	3099	0.86
3	A₁	3237	3080	1.69
4	A₁	1715	1632	425.67
5	A₁	1655	1575	14.65
6	A₁	1436	1366	0.08
7	A₁	1205	1147	18.00
8	A₁	1029	979	5.59
9	A₁	1001	952	54.50
10	A₁	825	785	4.07
11	A₁	514	489	7.15
12	A₂	948	902	0.00
13	A₂	805	766	0.00
14	A₂	419	399	0.00
15	B₁	944	898	0.01
16	B₁	847	806	67.66
17	B₁	711	676	17.74
18	B₁	545	519	30.02
19	B₁	432	411	56.44
20	B₁	155	148	0.53
21	B₂	3256	3098	3.02
22	B₂	3238	3081	1.62
23	B₂	1624	1545	0.58
24	B₂	1568	1492	102.95
25	B₂	1435	1366	0.02
26	B₂	1272	1210	7.51
27	B₂	1262	1201	0.19
28	B₂	1083	1031	2.04
29	B₂	620	590	1.20
30	B₂	450	428	4.36

Atom	y (Å)	z (Å)
N1	0.000	-1.725
C2	1.186	-1.049
C3	1.218	0.308
C4	0.000	1.106
C5	-1.218	0.308
C6	-1.186	-1.049
O7	0.000	2.342
H8	2.075	-1.661
H9	2.168	0.822
H10	-2.168	0.822
H11	-2.075	-1.661
H12	0.000	-2.729

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.3651	2.3706	2.8318	2.3706	1.3651	4.0678	2.0761	3.3448	3.3448	2.0761	1.0040
C2	1.3651		1.3574	2.4600	2.7607	2.3715	3.5927	1.0797	2.1128	3.8402	3.3179	2.0567
C3	2.3706	1.3574		1.4566	2.4368	2.7607	2.3713	2.1476	1.0797	3.4252	3.8373	3.2727
C4	2.8318	2.4600	1.4566		1.4566	2.4600	1.2360	3.4592	2.1867	2.1867	3.4592	3.8358
C5	2.3706	2.7607	2.4368	1.4566		1.3574	2.3713	3.8373	3.4252	1.0797	2.1476	3.2727
C6	1.3651	2.3715	2.7607	2.4600	1.3574		3.5927	3.3179	3.8402	2.1128	1.0797	2.0567
O7	4.0678	3.5927	2.3713	1.2360	2.3713	3.5927		4.5094	2.6483	2.6483	4.5094	5.0718
H8	2.0761	1.0797	2.1476	3.4592	3.8373	3.3179	4.5094		2.4845	4.9162	4.1503	2.3339
H9	3.3448	2.1128	1.0797	2.1867	3.4252	3.8402	2.6483	2.4845		4.3362	4.9162	4.1606
H10	3.3448	3.8402	3.4252	2.1867	1.0797	2.1128	2.6483	4.9162	4.3362		2.4845	4.1606
H11	2.0761	3.3179	3.8373	3.4592	2.1476	1.0797	4.5094	4.1503	4.9162	2.4845		2.3339
H12	1.0040	2.0567	3.2727	3.8358	3.2727	2.0567	5.0718	2.3339	4.1606	4.1606	2.3339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	121.081	N1	C2	H8	115.752
N1	C6	C5	121.081	N1	C6	H11	115.752
C2	N1	C6	120.591	C2	N1	H12	119.704
C2	C3	C4	121.857	C2	C3	H9	119.778
C3	C2	H8	123.167	C3	C4	C5	113.531
C3	C4	O7	123.234	C4	C3	H9	118.365
C4	C5	C6	121.857	C4	C5	H10	118.365
C5	C4	O7	123.234	C5	C6	H11	123.167
C6	N1	H12	119.704	C6	C5	H10	119.778

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

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 (4(1H)-Pryidinone)

using model chemistry: MP2/Def2TZVPP

States and conformations

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