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	hartrees
Energy at 0K	-230.180635
Energy at 298.15K	-230.187443
HF Energy	-229.686666
Nuclear repulsion energy	164.713684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	2956	21.53
2	A₁	3091	2936	8.34
3	A₁	1706	1621	135.25
4	A₁	1568	1489	0.13
5	A₁	1529	1453	0.28
6	A₁	1287	1223	7.73
7	A₁	968	919	1.24
8	A₁	849	807	0.92
9	A₁	671	638	0.43
10	A₂	3151	2994	0.00
11	A₂	1254	1191	0.00
12	A₂	989	940	0.00
13	A₂	726	690	0.00
14	B₁	3176	3018	32.54
15	B₁	3144	2988	3.72
16	B₁	1243	1181	0.00
17	B₁	1140	1083	0.41
18	B₁	783	744	4.36
19	B₁	404	384	1.02
20	B₁	60	57	3.90
21	B₂	3087	2933	15.26
22	B₂	1519	1444	17.66
23	B₂	1303	1238	2.78
24	B₂	1248	1186	0.49
25	B₂	1105	1050	101.43
26	B₂	928	881	0.05
27	B₂	455	433	3.44

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.919
C2	0.000	0.000	0.673
C3	0.000	1.128	-0.391
C4	0.000	-1.128	-0.391
C5	0.000	0.000	-1.496
H6	0.891	0.000	-2.134
H7	-0.891	0.000	-2.134
H8	-0.892	1.769	-0.363
H9	-0.892	-1.769	-0.363
H10	0.892	1.769	-0.363
H11	0.892	-1.769	-0.363

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2469	2.5714	2.5714	3.4150	4.1501	4.1501	3.0222	3.0222	3.0222	3.0222
C2	1.2469		1.5506	1.5506	2.1682	2.9445	2.9445	2.2354	2.2354	2.2354	2.2354
C3	2.5714	1.5506		2.2557	1.5784	2.2587	2.2587	1.0986	3.0312	1.0986	3.0312
C4	2.5714	1.5506	2.2557		1.5784	2.2587	2.2587	3.0312	1.0986	3.0312	1.0986
C5	3.4150	2.1682	1.5784	1.5784		1.0959	1.0959	2.2820	2.2820	2.2820	2.2820
H6	4.1501	2.9445	2.2587	2.2587	1.0959		1.7815	3.0730	3.0730	2.5033	2.5033
H7	4.1501	2.9445	2.2587	2.2587	1.0959	1.7815		2.5033	2.5033	3.0730	3.0730
H8	3.0222	2.2354	1.0986	3.0312	2.2820	3.0730	2.5033		3.5382	1.7832	3.9622
H9	3.0222	2.2354	3.0312	1.0986	2.2820	3.0730	2.5033	3.5382		3.9622	1.7832
H10	3.0222	2.2354	1.0986	3.0312	2.2820	2.5033	3.0730	1.7832	3.9622		3.5382
H11	3.0222	2.2354	3.0312	1.0986	2.2820	2.5033	3.0730	3.9622	1.7832	3.5382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.332	O1	C2	C4	133.332
C2	C3	C5	87.723	C2	C3	H8	114.002
C2	C3	H10	114.002	C2	C4	C5	87.723
C2	C4	H9	114.002	C2	C4	H11	114.002
C3	C2	C4	93.336	C3	C5	C4	91.217
C3	C5	H6	114.048	C3	C5	H7	114.048
C4	C5	H6	114.048	C4	C5	H7	114.048
C5	C3	H8	115.801	C5	C3	H10	115.801
C5	C4	H9	115.801	C5	C4	H11	115.801
H6	C5	H7	108.745	H8	C3	H10	108.497
H9	C4	H11	108.497

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)