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	hartrees
Energy at 0K	-229.001130
Energy at 298.15K	-229.007976
Nuclear repulsion energy	164.616068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3043	19.01
2	A'	3181	3016	3.36
3	A'	3142	2979	16.40
4	A'	3117	2955	4.79
5	A'	1737	1647	113.94
6	A'	1580	1498	0.68
7	A'	1543	1463	2.76
8	A'	1288	1221	15.49
9	A'	1256	1191	1.76
10	A'	1119	1061	0.49
11	A'	944	895	1.12
12	A'	871	825	0.48
13	A'	734	696	6.23
14	A'	651	617	0.30
15	A'	431	408	0.13
16	A'	102	97	2.38
17	A"	3186	3020	3.92
18	A"	3114	2952	8.75
19	A"	1531	1451	15.89
20	A"	1309	1241	0.00
21	A"	1283	1216	0.65
22	A"	1226	1162	0.07
23	A"	1026	972	39.60
24	A"	1014	961	64.02
25	A"	891	845	2.21
26	A"	697	661	0.10
27	A"	447	423	1.01

Atom	x (Å)	y (Å)	z (Å)
O1	-0.523	1.847	0.000
C2	-0.130	0.678	0.000
C3	0.188	-0.370	1.126
C4	0.188	-0.370	-1.126
C5	0.188	-1.480	0.000
H6	-0.742	-2.051	0.000
H7	1.044	-2.155	0.000
H8	1.184	-0.199	1.550
H9	1.184	-0.199	-1.550
H10	-0.550	-0.461	1.926
H11	-0.550	-0.461	-1.926

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.2328	2.5864	2.5864	3.4023	3.9040	4.2980	3.0823	3.0823	3.0060	3.0060
C2	1.2328		1.5712	1.5712	2.1820	2.7972	3.0672	2.2131	2.2131	2.2767	2.2767
C3	2.5864	1.5712		2.2521	1.5812	2.2269	2.2774	1.0955	2.8603	1.0921	3.1411
C4	2.5864	1.5712	2.2521		1.5812	2.2269	2.2774	2.8603	1.0955	3.1411	1.0921
C5	3.4023	2.1820	1.5812	1.5812		1.0918	1.0901	2.2440	2.2440	2.3004	2.3004
H6	3.9040	2.7972	2.2269	2.2269	1.0918		1.7898	3.0892	3.0892	2.5047	2.5047
H7	4.2980	3.0672	2.2774	2.2774	1.0901	1.7898		2.4997	2.4997	3.0198	3.0198
H8	3.0823	2.2131	1.0955	2.8603	2.2440	3.0892	2.4997		3.0998	1.7932	3.8929
H9	3.0823	2.2131	2.8603	1.0955	2.2440	3.0892	2.4997	3.0998		3.8929	1.7932
H10	3.0060	2.2767	1.0921	3.1411	2.3004	2.5047	3.0198	1.7932	3.8929		3.8516
H11	3.0060	2.2767	3.1411	1.0921	2.3004	2.5047	3.0198	3.8929	1.7932	3.8516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	134.196	O1	C2	C4	134.196
C2	C3	C5	87.602	C2	C3	H8	110.918
C2	C3	H10	116.328	C2	C4	C5	87.602
C2	C4	H9	110.918	C2	C4	H11	116.328
C3	C2	C4	91.560	C3	C5	C4	90.816
C3	C5	H6	111.529	C3	C5	H7	115.761
C4	C5	H6	111.529	C4	C5	H7	115.761
C5	C3	H8	112.664	C5	C3	H10	117.585
C5	C4	H9	112.664	C5	C4	H11	117.585
H6	C5	H7	110.237	H8	C3	H10	110.110
H9	C4	H11	110.110

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)