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	hartrees
Energy at 0K	-230.514896
Energy at 298.15K	-230.521709
HF Energy	-229.796396
Nuclear repulsion energy	167.210018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3011	26.17
2	A'	3156	2987	3.60
3	A'	3124	2956	20.36
4	A'	3104	2938	6.93
5	A'	1937	1834	223.98
6	A'	1556	1472	0.68
7	A'	1508	1427	1.00
8	A'	1290	1221	4.67
9	A'	1249	1183	0.12
10	A'	1136	1075	0.51
11	A'	1004	950	1.43
12	A'	879	832	0.51
13	A'	764	723	3.39
14	A'	692	655	2.00
15	A'	409	387	1.52
16	A'	56	53	3.68
17	A"	3161	2992	2.11
18	A"	3101	2935	12.91
19	A"	1496	1416	16.85
20	A"	1313	1243	8.76
21	A"	1260	1193	2.97
22	A"	1230	1165	2.30
23	A"	1144	1083	77.82
24	A"	984	931	0.13
25	A"	964	913	0.01
26	A"	683	646	0.00
27	A"	471	446	5.20

Atom	x (Å)	y (Å)	z (Å)
O1	-0.071	1.878	0.000
C2	-0.026	0.676	0.000
C3	0.027	-0.383	1.113
C4	0.027	-0.383	-1.113
C5	0.027	-1.475	0.000
H6	0.915	-2.112	0.000
H7	-0.861	-2.115	0.000
H8	-0.843	-0.373	1.779
H9	-0.843	-0.373	-1.779
H10	0.935	-0.327	1.727
H11	0.935	-0.327	-1.727

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2028	2.5221	2.5221	3.3543	4.1104	4.0706	2.9712	2.9712	2.9760	2.9760
C2	1.2028		1.5371	1.5371	2.1515	2.9427	2.9136	2.2214	2.2214	2.2159	2.2159
C3	2.5221	1.5371		2.2251	1.5586	2.2397	2.2418	1.0963	3.0199	1.0973	2.9814
C4	2.5221	1.5371	2.2251		1.5586	2.2397	2.2418	3.0199	1.0963	2.9814	1.0973
C5	3.3543	2.1515	1.5586	1.5586		1.0934	1.0948	2.2666	2.2666	2.2633	2.2633
H6	4.1104	2.9427	2.2397	2.2397	1.0934		1.7764	3.0470	3.0470	2.4836	2.4836
H7	4.0706	2.9136	2.2418	2.2418	1.0948	1.7764		2.4904	2.4904	3.0664	3.0664
H8	2.9712	2.2214	1.0963	3.0199	2.2666	3.0470	2.4904		3.5586	1.7792	3.9313
H9	2.9712	2.2214	3.0199	1.0963	2.2666	3.0470	2.4904	3.5586		3.9313	1.7792
H10	2.9760	2.2159	1.0973	2.9814	2.2633	2.4836	3.0664	1.7792	3.9313		3.4536
H11	2.9760	2.2159	2.9814	1.0973	2.2633	2.4836	3.0664	3.9313	1.7792	3.4536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.628	O1	C2	C4	133.628
C2	C3	C5	88.052	C2	C3	H8	113.984
C2	C3	H10	113.463	C2	C4	C5	88.052
C2	C4	H9	113.984	C2	C4	H11	113.463
C3	C2	C4	92.736	C3	C5	C4	91.091
C3	C5	H6	114.093	C3	C5	H7	114.185
C4	C5	H6	114.093	C4	C5	H7	114.185
C5	C3	H8	116.155	C5	C3	H10	115.809
C5	C4	H9	116.155	C5	C4	H11	115.809
H6	C5	H7	108.545	H8	C3	H10	108.396
H9	C4	H11	108.396

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)