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	hartrees
Energy at 0K	-231.139204
Energy at 298.15K	-231.145656
Nuclear repulsion energy	165.476661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3015	2991	28.09
2	A₁	2987	2964	7.33
3	A₁	1804	1790	239.82
4	A₁	1471	1460	0.11
5	A₁	1418	1407	1.59
6	A₁	1203	1194	2.26
7	A₁	934	927	1.68
8	A₁	801	795	2.78
9	A₁	646	641	0.35
10	A₂	3032	3009	0.00
11	A₂	1192	1183	0.00
12	A₂	920	913	0.00
13	A₂	605	601	0.00
14	B₁	3065	3042	31.37
15	B₁	3027	3003	8.23
16	B₁	1189	1180	0.04
17	B₁	1062	1054	0.41
18	B₁	724	718	4.36
19	B₁	384	381	0.75
20	B₁	3	3	3.68
21	B₂	2982	2959	20.03
22	B₂	1402	1392	10.64
23	B₂	1234	1224	8.71
24	B₂	1154	1145	1.10
25	B₂	1030	1022	94.24
26	B₂	889	882	1.63
27	B₂	435	431	1.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.902
C2	0.000	0.000	0.687
C3	0.000	1.121	-0.390
C4	0.000	-1.121	-0.390
C5	0.000	0.000	-1.493
H6	0.892	0.000	-2.134
H7	-0.892	0.000	-2.134
H8	-0.891	1.769	-0.356
H9	-0.891	-1.769	-0.356
H10	0.891	1.769	-0.356
H11	0.891	-1.769	-0.356

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2150	2.5514	2.5514	3.3944	4.1334	4.1334	3.0032	3.0032	3.0032	3.0032
C2	1.2150		1.5543	1.5543	2.1794	2.9587	2.9587	2.2381	2.2381	2.2381	2.2381
C3	2.5514	1.5543		2.2411	1.5718	2.2566	2.2566	1.1026	3.0237	1.1026	3.0237
C4	2.5514	1.5543	2.2411		1.5718	2.2566	2.2566	3.0237	1.1026	3.0237	1.1026
C5	3.3944	2.1794	1.5718	1.5718		1.0989	1.0989	2.2836	2.2836	2.2836	2.2836
H6	4.1334	2.9587	2.2566	2.2566	1.0989		1.7844	3.0777	3.0777	2.5082	2.5082
H7	4.1334	2.9587	2.2566	2.2566	1.0989	1.7844		2.5082	2.5082	3.0777	3.0777
H8	3.0032	2.2381	1.1026	3.0237	2.2836	3.0777	2.5082		3.5372	1.7827	3.9611
H9	3.0032	2.2381	3.0237	1.1026	2.2836	3.0777	2.5082	3.5372		3.9611	1.7827
H10	3.0032	2.2381	1.1026	3.0237	2.2836	2.5082	3.0777	1.7827	3.9611		3.5372
H11	3.0032	2.2381	3.0237	1.1026	2.2836	2.5082	3.0777	3.9611	1.7827	3.5372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.870	O1	C2	C4	133.870
C2	C3	C5	88.398	C2	C3	H8	113.700
C2	C3	H10	113.700	C2	C4	C5	88.398
C2	C4	H9	113.700	C2	C4	H11	113.700
C3	C2	C4	92.260	C3	C5	C4	90.944
C3	C5	H6	114.166	C3	C5	H7	114.166
C4	C5	H6	114.166	C4	C5	H7	114.166
C5	C3	H8	116.173	C5	C3	H10	116.173
C5	C4	H9	116.173	C5	C4	H11	116.173
H6	C5	H7	108.565	H8	C3	H10	107.882
H9	C4	H11	107.882

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.389
2	C	0.365
3	C	-0.222
4	C	-0.222
5	C	-0.186
6	H	0.095
7	H	0.095
8	H	0.116
9	H	0.116
10	H	0.116
11	H	0.116

<r²>	108.198
(<r²>)^1/2	10.402

All results from a given calculation for C4H6O (Cyclobutanone)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)