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	hartrees
Energy at 0K	-322.608175
Energy at 298.15K
HF Energy	-321.594161
Nuclear repulsion energy	270.937170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3079	7.31
2	A'	3217	3057	10.02
3	A'	3159	3002	22.77
4	A'	3068	2916	0.30
5	A'	1757	1670	171.41
6	A'	1671	1588	42.10
7	A'	1627	1546	5.45
8	A'	1442	1370	0.44
9	A'	1430	1359	58.01
10	A'	1417	1346	5.06
11	A'	1345	1278	19.25
12	A'	1262	1199	25.66
13	A'	1224	1164	15.21
14	A'	1008	958	3.70
15	A'	987	938	14.70
16	A'	923	877	14.55
17	A'	773	734	3.89
18	A'	620	589	1.35
19	A'	486	462	2.03
20	A'	447	425	10.72
21	A"	3110	2956	0.06
22	A"	1204	1145	3.26
23	A"	987	938	2.53
24	A"	962	914	0.24
25	A"	836	795	0.30
26	A"	793	754	37.78
27	A"	526	500	2.20
28	A"	414	393	5.92
29	A"	242	230	0.37
30	A"	65i	62i	12.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.086	-1.853	0.000
C2	-1.051	-1.249	0.000
C3	-1.266	0.237	0.000
C4	0.000	1.082	0.000
C5	1.254	0.317	0.000
C6	1.240	-1.038	0.000
O7	-0.041	2.304	0.000
H8	-1.940	-1.884	0.000
H9	-1.873	0.523	0.870
H10	2.186	0.874	0.000
H11	2.170	-1.600	0.000
H12	-1.873	0.523	-0.870

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2877	2.4892	2.9362	2.4639	1.4127	4.1585	2.0265	3.1995	3.4414	2.0991	3.1995
C2	1.2877		1.5018	2.5576	2.7868	2.3011	3.6939	1.0924	2.1379	3.8715	3.2405	2.1379
C3	2.4892	1.5018		1.5224	2.5212	2.8119	2.4026	2.2259	1.0984	3.5106	3.8967	1.0984
C4	2.9362	2.5576	1.5224		1.4688	2.4560	1.2223	3.5447	2.1399	2.1961	3.4504	2.1399
C5	2.4639	2.7868	2.5212	1.4688		1.3548	2.3715	3.8790	3.2522	1.0860	2.1251	3.2522
C6	1.4127	2.3011	2.8119	2.4560	1.3548		3.5787	3.2909	3.5893	2.1328	1.0870	3.5893
O7	4.1585	3.6939	2.4026	1.2223	2.3715	3.5787		4.5986	2.6994	2.6469	4.4868	2.6994
H8	2.0265	1.0924	2.2259	3.5447	3.8790	3.2909	4.5986		2.5600	4.9632	4.1200	2.5600
H9	3.1995	2.1379	1.0984	2.1399	3.2522	3.5893	2.6994	2.5600		4.1664	4.6488	1.7396
H10	3.4414	3.8715	3.5106	2.1961	1.0860	2.1328	2.6469	4.9632	4.1664		2.4741	4.1664
H11	2.0991	3.2405	3.8967	3.4504	2.1251	1.0870	4.4868	4.1200	4.6488	2.4741		4.6488
H12	3.1995	2.1379	1.0984	2.1399	3.2522	3.5893	2.6994	2.5600	1.7396	4.1664	4.6488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	126.174	N1	C2	H8	116.503
N1	C6	C5	125.812	N1	C6	H11	113.592
C2	N1	C6	116.819	C2	C3	C4	115.493
C2	C3	H9	109.642	C2	C3	H12	109.642
C3	C2	H8	117.322	C3	C4	C5	114.879
C3	C4	O7	121.794	C4	C3	H9	108.390
C4	C3	H12	108.390	C4	C5	C6	120.822
C4	C5	H10	117.762	C5	C4	O7	123.327
C5	C6	H11	120.597	C6	C5	H10	121.415
H9	C3	H12	104.729

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

using model chemistry: MP2/6-311G*

States and conformations

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