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	hartrees
Energy at 0K	-322.548628
Energy at 298.15K
HF Energy	-321.544871
Nuclear repulsion energy	271.213347

Atom	x (Å)	y (Å)	z (Å)
N1	-1.845	0.040	-0.100
C2	-1.212	-1.087	-0.064
C3	0.263	-1.253	0.139
C4	1.071	0.024	0.000
C5	0.289	1.261	0.083
C6	-1.065	1.215	0.025
O7	2.298	0.009	-0.131
H8	-1.813	-1.988	-0.160
H9	0.670	-2.020	-0.523
H10	0.820	2.203	0.120
H11	-1.652	2.124	0.049
H12	0.426	-1.626	1.159

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.2933	2.4841	2.9171	2.4647	1.4155	4.1432	2.0294	3.2784	3.4389	2.0984	3.0852
C2	1.2933		1.4982	2.5397	2.7905	2.3088	3.6781	1.0872	2.1502	3.8713	3.2436	2.1144
C3	2.4841	1.4982		1.5169	2.5140	2.8048	2.4095	2.2228	1.0923	3.4999	3.8832	1.0986
C4	2.9171	2.5397	1.5169		1.4656	2.4457	1.2347	3.5200	2.1477	2.1963	3.4391	2.1169
C5	2.4647	2.7905	2.5140	1.4656		1.3559	2.3775	3.8771	3.3581	1.0821	2.1245	3.0839
C6	1.4155	2.3088	2.8048	2.4457	1.3559		3.5768	3.2946	3.7119	2.1304	1.0825	3.4034
O7	4.1432	3.6781	2.4095	1.2347	2.3775	3.5768		4.5706	2.6307	2.6574	4.4849	2.8003
H8	2.0294	1.0872	2.2228	3.5200	3.8771	3.2946	4.5706		2.5095	4.9573	4.1210	2.6245
H9	3.2784	2.1502	1.0923	2.1477	3.3581	3.7119	2.6307	2.5095		4.2741	4.7850	1.7449
H10	3.4389	3.8713	3.4999	2.1963	1.0821	2.1304	2.6574	4.9573	4.2741		2.4744	3.9866
H11	2.0984	3.2436	3.8832	3.4391	2.1245	1.0825	4.4849	4.1210	4.7850	2.4744		4.4292
H12	3.0852	2.1144	1.0986	2.1169	3.0839	3.4034	2.8003	2.6245	1.7449	3.9866	4.4292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	125.564	N1	C2	H8	116.709
N1	C6	C5	125.560	N1	C6	H11	113.621
C2	N1	C6	116.857	C2	C3	C4	114.769
C2	C3	H9	111.241	C2	C3	H12	108.038
C3	C2	H8	117.701	C3	C4	C5	114.889
C3	C4	O7	121.913	C4	C3	H9	109.722
C4	C3	H12	106.977	C4	C5	C6	120.130
C4	C5	H10	118.320	C5	C4	O7	123.163
C5	C6	H11	120.803	C6	C5	H10	121.409
H9	C3	H12	105.581

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

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 (4(3H)-Pryidinone)

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

States and conformations

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