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	hartrees
Energy at 0K	-230.174260
Energy at 298.15K	-230.181069
HF Energy	-229.686607
Nuclear repulsion energy	164.689221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3111	2977	21.63
2	A₁	3090	2957	8.34
3	A₁	1706	1632	135.24
4	A₁	1568	1500	0.12
5	A₁	1529	1463	0.28
6	A₁	1287	1231	7.68
7	A₁	968	926	1.24
8	A₁	849	812	0.92
9	A₁	671	642	0.43
10	A₂	3151	3015	0.00
11	A₂	1254	1200	0.00
12	A₂	989	947	0.00
13	A₂	726	695	0.00
14	B₁	3176	3039	32.72
15	B₁	3144	3008	3.75
16	B₁	1243	1190	0.00
17	B₁	1140	1091	0.40
18	B₁	783	749	4.35
19	B₁	403	386	1.03
20	B₁	61	58	3.90
21	B₂	3087	2954	15.39
22	B₂	1520	1454	17.59
23	B₂	1302	1246	2.81
24	B₂	1247	1194	0.50
25	B₂	1104	1057	101.33
26	B₂	928	887	0.05
27	B₂	455	435	3.45

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.920
C2	0.000	0.000	0.673
C3	0.000	1.128	-0.392
C4	0.000	-1.128	-0.392
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		1.2470	2.5718	2.5718	3.4156	4.1507	4.1507	3.0227	3.0227	3.0227	3.0227
C2	1.2470		1.5508	1.5508	2.1686	2.9450	2.9450	2.2358	2.2358	2.2358	2.2358
C3	2.5718	1.5508		2.2561	1.5786	2.2591	2.2591	1.0988	3.0316	1.0988	3.0316
C4	2.5718	1.5508	2.2561		1.5786	2.2591	2.2591	3.0316	1.0988	3.0316	1.0988
C5	3.4156	2.1686	1.5786	1.5786		1.0960	1.0960	2.2824	2.2824	2.2824	2.2824
H6	4.1507	2.9450	2.2591	2.2591	1.0960		1.7817	3.0734	3.0734	2.5036	2.5036
H7	4.1507	2.9450	2.2591	2.2591	1.0960	1.7817		2.5036	2.5036	3.0734	3.0734
H8	3.0227	2.2358	1.0988	3.0316	2.2824	3.0734	2.5036		3.5387	1.7834	3.9627
H9	3.0227	2.2358	3.0316	1.0988	2.2824	3.0734	2.5036	3.5387		3.9627	1.7834
H10	3.0227	2.2358	1.0988	3.0316	2.2824	2.5036	3.0734	1.7834	3.9627		3.5387
H11	3.0227	2.2358	3.0316	1.0988	2.2824	2.5036	3.0734	3.9627	1.7834	3.5387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.334	O1	C2	C4	133.334
C2	C3	C5	87.726	C2	C3	H8	114.001
C2	C3	H10	114.001	C2	C4	C5	87.726
C2	C4	H9	114.001	C2	C4	H11	114.001
C3	C2	C4	93.332	C3	C5	C4	91.216
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: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)