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	hartrees
Energy at 0K	-230.530890
Energy at 298.15K	-230.537778
HF Energy	-229.805347
Nuclear repulsion energy	167.592153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3040	21.97
2	A'	3222	3018	3.24
3	A'	3174	2972	20.93
4	A'	3152	2952	5.04
5	A'	1861	1743	192.15
6	A'	1554	1455	0.12
7	A'	1507	1411	2.81
8	A'	1277	1196	7.05
9	A'	1251	1172	0.50
10	A'	1122	1050	0.43
11	A'	1006	942	1.22
12	A'	894	837	0.55
13	A'	753	705	3.52
14	A'	686	643	2.24
15	A'	402	376	0.76
16	A'	104	97	3.05
17	A"	3227	3022	5.42
18	A"	3149	2949	9.64
19	A"	1492	1397	12.08
20	A"	1306	1223	7.94
21	A"	1269	1189	4.16
22	A"	1209	1132	1.73
23	A"	1120	1048	74.69
24	A"	974	912	0.52
25	A"	959	898	0.38
26	A"	677	634	0.04
27	A"	464	435	3.59

Atom	x (Å)	y (Å)	z (Å)
O1	-0.230	1.862	0.000
C2	0.000	0.671	0.000
C3	0.140	-0.386	1.102
C4	0.140	-0.386	-1.102
C5	-0.085	-1.454	0.000
H6	-1.107	-1.826	0.000
H7	0.600	-2.298	0.000
H8	1.156	-0.397	1.502
H9	1.156	-0.397	-1.502
H10	-0.567	-0.326	1.928
H11	-0.567	-0.326	-1.928

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2134	2.5311	2.5311	3.3188	3.7910	4.2418	3.0460	3.0460	2.9361	2.9361
C2	1.2134		1.5334	1.5334	2.1260	2.7313	3.0284	2.1748	2.1748	2.2435	2.2435
C3	2.5311	1.5334		2.2045	1.5509	2.2012	2.2540	1.0914	2.7949	1.0887	3.1123
C4	2.5311	1.5334	2.2045		1.5509	2.2012	2.2540	2.7949	1.0914	3.1123	1.0887
C5	3.3188	2.1260	1.5509	1.5509		1.0882	1.0870	2.2162	2.2162	2.2847	2.2847
H6	3.7910	2.7313	2.2012	2.2012	1.0882		1.7713	3.0692	3.0692	2.5017	2.5017
H7	4.2418	3.0284	2.2540	2.2540	1.0870	1.7713		2.4855	2.4855	2.9940	2.9940
H8	3.0460	2.1748	1.0914	2.7949	2.2162	3.0692	2.4855		3.0032	1.7759	3.8386
H9	3.0460	2.1748	2.7949	1.0914	2.2162	3.0692	2.4855	3.0032		3.8386	1.7759
H10	2.9361	2.2435	1.0887	3.1123	2.2847	2.5017	2.9940	1.7759	3.8386		3.8563
H11	2.9361	2.2435	3.1123	1.0887	2.2847	2.5017	2.9940	3.8386	1.7759	3.8563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.945	O1	C2	C4	133.945
C2	C3	C5	87.146	C2	C3	H8	110.781
C2	C3	H10	116.633	C2	C4	C5	87.146
C2	C4	H9	110.781	C2	C4	H11	116.633
C3	C2	C4	91.916	C3	C5	C4	90.587
C3	C5	H6	111.840	C3	C5	H7	116.296
C4	C5	H6	111.840	C4	C5	H7	116.296
C5	C3	H8	112.860	C5	C3	H10	118.847
C5	C4	H9	112.860	C5	C4	H11	118.847
H6	C5	H7	109.044	H8	C3	H10	109.099
H9	C4	H11	109.099

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)