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	hartrees
Energy at 0K	-230.543752
Energy at 298.15K
HF Energy	-229.810596
Nuclear repulsion energy	167.501959

Atom	x (Å)	y (Å)	z (Å)
O1	-0.561	1.793	0.000
C2	-0.128	0.656	0.000
C3	0.200	-0.354	1.104
C4	0.200	-0.354	-1.104
C5	0.200	-1.447	0.000
H6	-0.719	-2.031	0.000
H7	1.050	-2.125	0.000
H8	1.189	-0.166	1.526
H9	1.189	-0.166	-1.526
H10	-0.524	-0.430	1.915
H11	-0.524	-0.430	-1.915

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2167	2.5315	2.5315	3.3280	3.8270	4.2364	3.0380	3.0380	2.9345	2.9345
C2	1.2167		1.5317	1.5317	2.1283	2.7510	3.0202	2.1769	2.1769	2.2368	2.2368
C3	2.5315	1.5317		2.2071	1.5528	2.2073	2.2529	1.0920	2.8159	1.0896	3.1046
C4	2.5315	1.5317	2.2071		1.5528	2.2073	2.2529	2.8159	1.0920	3.1046	1.0896
C5	3.3280	2.1283	1.5528	1.5528		1.0887	1.0876	2.2245	2.2245	2.2852	2.2852
H6	3.8270	2.7510	2.2073	2.2073	1.0887		1.7716	3.0736	3.0736	2.5028	2.5028
H7	4.2364	3.0202	2.2529	2.2529	1.0876	1.7716		2.4873	2.4873	3.0024	3.0024
H8	3.0380	2.1769	1.0920	2.8159	2.2245	3.0736	2.4873		3.0525	1.7761	3.8526
H9	3.0380	2.1769	2.8159	1.0920	2.2245	3.0736	2.4873	3.0525		3.8526	1.7761
H10	2.9345	2.2368	1.0896	3.1046	2.2852	2.5028	3.0024	1.7761	3.8526		3.8291
H11	2.9345	2.2368	3.1046	1.0896	2.2852	2.5028	3.0024	3.8526	1.7761	3.8291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.837	O1	C2	C4	133.837
C2	C3	C5	87.253	C2	C3	H8	111.023
C2	C3	H10	116.119	C2	C4	C5	87.253
C2	C4	H9	111.023	C2	C4	H11	116.119
C3	C2	C4	92.185	C3	C5	C4	90.581
C3	C5	H6	112.164	C3	C5	H7	116.021
C4	C5	H6	112.164	C4	C5	H7	116.021
C5	C3	H8	113.361	C5	C3	H10	118.673
C5	C4	H9	113.361	C5	C4	H11	118.673
H6	C5	H7	108.993	H8	C3	H10	109.000
H9	C4	H11	109.000

All results from a given calculation for C₄H₆O (Cyclobutanone)

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 C4H6O (Cyclobutanone)

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

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)