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	hartrees
Energy at 0K	-322.669687
Energy at 298.15K
HF Energy	-321.629101
Nuclear repulsion energy	271.622770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3085	5.75
2	A'	3231	3062	8.55
3	A'	3171	3006	20.56
4	A'	3080	2919	0.24
5	A'	1735	1644	191.73
6	A'	1670	1583	38.47
7	A'	1627	1542	7.09
8	A'	1442	1367	12.92
9	A'	1428	1354	1.91
10	A'	1409	1336	43.76
11	A'	1342	1272	15.44
12	A'	1262	1196	26.44
13	A'	1228	1164	15.49
14	A'	1007	955	3.28
15	A'	989	938	14.85
16	A'	923	875	12.68
17	A'	773	732	4.12
18	A'	622	590	1.41
19	A'	489	464	2.27
20	A'	454	430	10.28
21	A"	3123	2960	0.02
22	A"	1170	1109	2.89
23	A"	963	913	1.02
24	A"	853	809	0.87
25	A"	798	757	4.38
26	A"	740	702	26.38
27	A"	478	453	0.97
28	A"	346	328	9.12
29	A"	170	161	0.00
30	A"	123i	116i	11.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.082	-1.845	0.000
C2	-1.050	-1.249	0.000
C3	-1.267	0.237	0.000
C4	0.000	1.082	0.000
C5	1.254	0.314	0.000
C6	1.239	-1.034	0.000
O7	-0.039	2.299	0.000
H8	-1.943	-1.874	0.000
H9	-1.864	0.515	0.873
H10	2.184	0.868	0.000
H11	2.163	-1.600	0.000
H12	-1.864	0.515	-0.873

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2801	2.4809	2.9283	2.4563	1.4130	4.1465	2.0251	3.1818	3.4320	2.0952	3.1818
C2	1.2801		1.5014	2.5565	2.7843	2.2997	3.6896	1.0893	2.1301	3.8655	3.2326	2.1301
C3	2.4809	1.5014		1.5227	2.5221	2.8098	2.4003	2.2163	1.0941	3.5078	3.8906	1.0941
C4	2.9283	2.5565	1.5227		1.4710	2.4521	1.2182	3.5370	2.1350	2.1944	3.4454	2.1350
C5	2.4563	2.7843	2.5221	1.4710		1.3476	2.3700	3.8736	3.2447	1.0825	2.1182	3.2447
C6	1.4130	2.2997	2.8098	2.4521	1.3476		3.5702	3.2908	3.5769	2.1238	1.0833	3.5769
O7	4.1465	3.6896	2.4003	1.2182	2.3700	3.5702		4.5869	2.6974	2.6440	4.4782	2.6974
H8	2.0251	1.0893	2.2163	3.5370	3.8736	3.2908	4.5869		2.5450	4.9544	4.1149	2.5450
H9	3.1818	2.1301	1.0941	2.1350	3.2447	3.5769	2.6974	2.5450		4.1562	4.6320	1.7462
H10	3.4320	3.8655	3.5078	2.1944	1.0825	2.1238	2.6440	4.9544	4.1562		2.4680	4.1562
H11	2.0952	3.2326	3.8906	3.4454	2.1182	1.0833	4.4782	4.1149	4.6320	2.4680		4.6320
H12	3.1818	2.1301	1.0941	2.1350	3.2447	3.5769	2.6974	2.5450	1.7462	4.1562	4.6320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.048	N1	C2	H8	117.225
N1	C6	C5	125.676	N1	C6	H11	113.480
C2	N1	C6	117.198	C2	C3	C4	115.428
C2	C3	H9	109.308	C2	C3	H12	109.308
C3	C2	H8	116.727	C3	C4	C5	114.797
C3	C4	O7	121.872	C4	C3	H9	108.241
C4	C3	H12	108.241	C4	C5	C6	120.853
C4	C5	H10	117.689	C5	C4	O7	123.331
C5	C6	H11	120.844	C6	C5	H10	121.458
H9	C3	H12	105.887

All results from a given calculation for C₅H₅NO (4(3H)-Pryidinone)

using model chemistry: MP2/TZVP

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(3H)-Pryidinone)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₅H₅NO (4(3H)-Pryidinone)