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	hartrees
Energy at 0K	-322.557970
Energy at 298.15K
HF Energy	-321.544293
Nuclear repulsion energy	272.248659

Atom	x (Å)	y (Å)	z (Å)
N1	-1.260	0.402	0.000
C2	0.000	1.088	0.000
C3	1.254	0.284	0.000
C4	1.228	-1.055	0.000
C5	-0.072	-1.796	0.000
C6	-1.265	-0.876	0.000
O7	0.020	2.297	0.000
H8	2.173	0.852	0.000
H9	2.142	-1.634	0.000
H10	-0.142	-2.457	0.869
H11	-2.237	-1.366	0.000
H12	-0.142	-2.457	-0.869

	N1	C2	C3	C4	C5	C6	O7	H8	H9	H10	H11	H12
N1		1.4350	2.5169	2.8833	2.4987	1.2777	2.2876	3.4622	3.9650	3.1908	2.0193	3.1908
C2	1.4350		1.4894	2.4697	2.8853	2.3358	1.2097	2.1854	3.4637	3.6532	3.3202	3.6532
C3	2.5169	1.4894		1.3389	2.4670	2.7727	2.3614	1.0800	2.1136	3.1968	3.8608	3.1968
C4	2.8833	2.4697	1.3389		1.4969	2.4990	3.5632	2.1275	1.0822	2.1448	3.4787	2.1448
C5	2.4987	2.8853	2.4670	1.4969		1.5064	4.0949	3.4715	2.2203	1.0942	2.2070	1.0942
C6	1.2777	2.3358	2.7727	2.4990	1.5064		3.4236	3.8469	3.4901	2.1252	1.0886	2.1252
O7	2.2876	1.2097	2.3614	3.5632	4.0949	3.4236		2.5929	4.4675	4.8364	4.3027	4.8364
H8	3.4622	2.1854	1.0800	2.1275	3.4715	3.8469	2.5929		2.4858	4.1308	4.9355	4.1308
H9	3.9650	3.4637	2.1136	1.0822	2.2203	3.4901	4.4675	2.4858		2.5791	4.3871	2.5791
H10	3.1908	3.6532	3.1968	2.1448	1.0942	2.1252	4.8364	4.1308	2.5791		2.5169	1.7381
H11	2.0193	3.3202	3.8608	3.4787	2.2070	1.0886	4.3027	4.9355	4.3871	2.5169		2.5169
H12	3.1908	3.6532	3.1968	2.1448	1.0942	2.1252	4.8364	4.1308	2.5791	1.7381	2.5169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	118.764	N1	C2	O7	119.523
N1	C6	C5	127.474	N1	C6	H11	116.936
C2	N1	C6	118.759	C2	C3	C4	121.567
C2	C3	H8	115.617	C3	C2	O7	121.713
C3	C4	C5	120.805	C3	C4	H9	121.255
C4	C3	H8	122.816	C4	C5	C6	112.631
C4	C5	H10	110.788	C4	C5	H12	110.788
C5	C4	H9	117.940	C5	C6	H11	115.590
C6	C5	H10	108.577	C6	C5	H12	108.577
H10	C5	H12	105.173

All results from a given calculation for C₅H₅NO (2(5H)-Pyridinone)

using model chemistry: MP3/6-31+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 (2(5H)-Pyridinone)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₅H₅NO (2(5H)-Pyridinone)