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	hartrees
Energy at 0K	-230.559154
Energy at 298.15K
HF Energy	-229.806880
Nuclear repulsion energy	167.466264

Atom	x (Å)	y (Å)	z (Å)
O1	-0.022	1.877	0.000
C2	-0.012	0.675	0.000
C3	0.009	-0.384	1.111
C4	0.009	-0.384	-1.111
C5	0.009	-1.474	0.000
H6	0.892	-2.107	0.000
H7	-0.874	-2.107	0.000
H8	-0.868	-0.358	1.755
H9	-0.868	-0.358	-1.755
H10	0.901	-0.343	1.735
H11	0.901	-0.343	-1.735

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2014	2.5187	2.5187	3.3506	4.0873	4.0732	2.9644	2.9644	2.9645	2.9645
C2	1.2014		1.5349	1.5349	2.1492	2.9256	2.9123	2.2090	2.2090	2.2090	2.2090
C3	2.5187	1.5349		2.2218	1.5565	2.2324	2.2322	1.0887	2.9973	1.0888	2.9825
C4	2.5187	1.5349	2.2218		1.5565	2.2324	2.2322	2.9973	1.0887	2.9825	1.0888
C5	3.3506	2.1492	1.5565	1.5565		1.0864	1.0864	2.2573	2.2573	2.2547	2.2547
H6	4.0873	2.9256	2.2324	2.2324	1.0864		1.7657	3.0394	3.0394	2.4745	2.4745
H7	4.0732	2.9123	2.2322	2.2322	1.0864	1.7657		2.4776	2.4776	3.0446	3.0446
H8	2.9644	2.2090	1.0887	2.9973	2.2573	3.0394	2.4776		3.5100	1.7688	3.9126
H9	2.9644	2.2090	2.9973	1.0887	2.2573	3.0394	2.4776	3.5100		3.9126	1.7688
H10	2.9645	2.2090	1.0888	2.9825	2.2547	2.4745	3.0446	1.7688	3.9126		3.4701
H11	2.9645	2.2090	2.9825	1.0888	2.2547	2.4745	3.0446	3.9126	1.7688	3.4701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.630	O1	C2	C4	133.630
C2	C3	C5	88.090	C2	C3	H8	113.613
C2	C3	H10	113.608	C2	C4	C5	88.090
C2	C4	H9	113.613	C2	C4	H11	113.608
C3	C2	C4	92.734	C3	C5	C4	91.076
C3	C5	H6	114.096	C3	C5	H7	114.081
C4	C5	H6	114.096	C4	C5	H7	114.081
C5	C3	H8	116.032	C5	C3	H10	115.811
C5	C4	H9	116.032	C5	C4	H11	115.811
H6	C5	H7	108.718	H8	C3	H10	108.638
H9	C4	H11	108.638

All results from a given calculation for C₄H₆O (Cyclobutanone)

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 C4H6O (Cyclobutanone)

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

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)