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	hartrees
Energy at 0K	-322.541066
Energy at 298.15K
HF Energy	-321.534959
Nuclear repulsion energy	270.740084

Atom	x (Å)	y (Å)	z (Å)
N1	1.322	-1.038	0.000
C2	1.266	0.250	0.000
C3	0.000	1.062	0.000
C4	-1.301	0.277	0.000
C5	-1.116	-1.211	0.000
C6	0.109	-1.773	0.000
O7	0.040	2.287	0.000
H8	2.189	0.828	0.000
H9	-1.879	0.597	0.872
H10	-1.999	-1.840	0.000
H11	0.247	-2.845	0.000
H12	-1.879	0.597	-0.872

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2900	2.4822	2.9344	2.4443	1.4184	3.5646	2.0574	3.6993	3.4164	2.1027	3.6993
C2	1.2900		1.5038	2.5666	2.7944	2.3304	2.3776	1.0887	3.2822	3.8763	3.2589	3.2822
C3	2.4822	1.5038		1.5193	2.5327	2.8368	1.2259	2.2014	2.1236	3.5238	3.9152	2.1236
C4	2.9344	2.5666	1.5193		1.4998	2.4873	2.4164	3.5327	1.0945	2.2290	3.4845	1.0945
C5	2.4443	2.7944	2.5327	1.4998		1.3469	3.6848	3.8830	2.1477	1.0838	2.1272	2.1477
C6	1.4184	2.3304	2.8368	2.4873	1.3469		4.0606	3.3298	3.2134	2.1085	1.0814	3.2134
O7	3.5646	2.3776	1.2259	2.4164	3.6848	4.0606		2.5980	2.7025	4.6033	5.1368	2.7025
H8	2.0574	1.0887	2.2014	3.5327	3.8830	3.3298	2.5980		4.1671	4.9650	4.1547	4.1671
H9	3.6993	3.2822	2.1236	1.0945	2.1477	3.2134	2.7025	4.1671		2.5907	4.1383	1.7448
H10	3.4164	3.8763	3.5238	2.2290	1.0838	2.1085	4.6033	4.9650	2.5907		2.4600	2.5907
H11	2.1027	3.2589	3.9152	3.4845	2.1272	1.0814	5.1368	4.1547	4.1383	2.4600		4.1383
H12	3.6993	3.2822	2.1236	1.0945	2.1477	3.2134	2.7025	4.1671	1.7448	2.5907	4.1383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	125.194	N1	C2	H8	119.506
N1	C6	C5	124.214	N1	C6	H11	113.841
C2	N1	C6	118.651	C2	C3	C4	116.201
C2	C3	O7	120.819	C3	C2	H8	115.300
C3	C4	C5	114.040	C3	C4	H9	107.560
C3	C4	H12	107.560	C4	C3	O7	122.980
C4	C5	C6	121.699	C4	C5	H10	118.365
C5	C4	H9	110.786	C5	C4	H12	110.786
C5	C6	H11	121.945	C6	C5	H10	119.936
H9	C4	H12	105.696

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

using model chemistry: MP2/6-31+G**

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 (3(4H)-Pyridinone)

using model chemistry: MP2/6-31+G**

States and conformations

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