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	hartrees
Energy at 0K	-230.188458
Energy at 298.15K	-230.195270
HF Energy	-229.718796
Nuclear repulsion energy	163.529537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3053	42.81
2	A'	3133	3024	9.13
3	A'	3082	2975	30.51
4	A'	3057	2951	9.77
5	A'	1664	1607	178.22
6	A'	1532	1479	0.61
7	A'	1493	1441	2.79
8	A'	1281	1236	12.25
9	A'	1227	1184	0.07
10	A'	1118	1080	0.58
11	A'	948	915	1.93
12	A'	867	837	0.75
13	A'	752	726	7.96
14	A'	660	637	1.46
15	A'	399	385	0.37
16	A'	103	100	3.87
17	A"	3137	3028	5.30
18	A"	3054	2948	24.02
19	A"	1485	1434	23.87
20	A"	1278	1233	0.41
21	A"	1235	1192	3.89
22	A"	1205	1163	1.63
23	A"	1069	1032	92.28
24	A"	967	934	1.51
25	A"	911	879	0.07
26	A"	720	695	0.05
27	A"	442	427	3.57

Atom	x (Å)	y (Å)	z (Å)
O1	-0.184	1.923	0.000
C2	0.000	0.682	0.000
C3	0.116	-0.395	1.132
C4	0.116	-0.395	-1.132
C5	-0.076	-1.501	0.000
H6	-1.094	-1.923	0.000
H7	0.662	-2.318	0.000
H8	1.126	-0.403	1.581
H9	1.126	-0.403	-1.581
H10	-0.641	-0.340	1.933
H11	-0.641	-0.340	-1.933

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2550	2.5974	2.5974	3.4259	3.9528	4.3249	3.1026	3.1026	3.0110	3.0110
C2	1.2550		1.5667	1.5667	2.1840	2.8254	3.0721	2.2235	2.2235	2.2782	2.2782
C3	2.5974	1.5667		2.2633	1.5936	2.2534	2.2970	1.1056	2.8946	1.1031	3.1571
C4	2.5974	1.5667	2.2633		1.5936	2.2534	2.2970	2.8946	1.1056	3.1571	1.1031
C5	3.4259	2.1840	1.5936	1.5936		1.1022	1.1012	2.2690	2.2690	2.3246	2.3246
H6	3.9528	2.8254	2.2534	2.2534	1.1022		1.8001	3.1205	3.1205	2.5397	2.5397
H7	4.3249	3.0721	2.2970	2.2970	1.1012	1.8001		2.5261	2.5261	3.0574	3.0574
H8	3.1026	2.2235	1.1056	2.8946	2.2690	3.1205	2.5261		3.1619	1.8020	3.9334
H9	3.1026	2.2235	2.8946	1.1056	2.2690	3.1205	2.5261	3.1619		3.9334	1.8020
H10	3.0110	2.2782	1.1031	3.1571	2.3246	2.5397	3.0574	1.8020	3.9334		3.8661
H11	3.0110	2.2782	3.1571	1.1031	2.3246	2.5397	3.0574	3.9334	1.8020	3.8661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.709	O1	C2	C4	133.709
C2	C3	C5	87.431	C2	C3	H8	111.456
C2	C3	H10	116.064	C2	C4	C5	87.431
C2	C4	H9	111.456	C2	C4	H11	116.064
C3	C2	C4	92.495	C3	C5	C4	90.494
C3	C5	H6	112.134	C3	C5	H7	115.738
C4	C5	H6	112.134	C4	C5	H7	115.738
C5	C3	H8	113.175	C5	C3	H10	117.946
C5	C4	H9	113.175	C5	C4	H11	117.946
H6	C5	H7	109.563	H8	C3	H10	109.349
H9	C4	H11	109.349

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)