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	hartrees
Energy at 0K	-230.842791
Energy at 298.15K	-230.849686
HF Energy	-229.877980
Nuclear repulsion energy	168.748964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3037	16.17
2	A'	3179	3018	2.28
3	A'	3139	2981	18.51
4	A'	3117	2959	4.49
5	A'	1855	1761	237.92
6	A'	1519	1442	0.62
7	A'	1471	1397	3.89
8	A'	1240	1177	7.54
9	A'	1237	1174	5.11
10	A'	1102	1046	0.19
11	A'	999	949	1.94
12	A'	889	844	1.11
13	A'	741	703	3.53
14	A'	684	649	2.87
15	A'	404	383	0.47
16	A'	114	108	2.87
17	A"	3183	3022	7.40
18	A"	3114	2956	6.58
19	A"	1453	1379	16.96
20	A"	1278	1213	6.93
21	A"	1251	1188	3.10
22	A"	1178	1118	0.82
23	A"	1107	1051	68.16
24	A"	957	909	0.57
25	A"	942	895	0.10
26	A"	651	618	0.27
27	A"	469	446	3.37

Atom	x (Å)	y (Å)	z (Å)
O1	-0.091	1.865	0.000
C2	-0.033	0.670	0.000
C3	0.035	-0.382	1.104
C4	0.035	-0.382	-1.104
C5	0.035	-1.466	0.000
H6	0.915	-2.094	0.000
H7	-0.846	-2.095	0.000
H8	-0.823	-0.374	1.768
H9	-0.823	-0.374	-1.768
H10	0.939	-0.316	1.700
H11	0.939	-0.316	-1.700

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.1960	2.5066	2.5066	3.3334	4.0845	4.0313	2.9453	2.9453	2.9512	2.9512
C2	1.1960		1.5268	1.5268	2.1375	2.9221	2.8823	2.2000	2.2000	2.1932	2.1932
C3	2.5066	1.5268		2.2088	1.5477	2.2193	2.2205	1.0843	2.9976	1.0854	2.9479
C4	2.5066	1.5268	2.2088		1.5477	2.2193	2.2205	2.9976	1.0843	2.9479	1.0854
C5	3.3334	2.1375	1.5477	1.5477		1.0809	1.0824	2.2480	2.2480	2.2433	2.2433
H6	4.0845	2.9221	2.2193	2.2193	1.0809		1.7610	3.0170	3.0170	2.4601	2.4601
H7	4.0313	2.8823	2.2205	2.2205	1.0824	1.7610		2.4672	2.4672	3.0404	3.0404
H8	2.9453	2.2000	1.0843	2.9976	2.2480	3.0170	2.4672		3.5358	1.7645	3.8908
H9	2.9453	2.2000	2.9976	1.0843	2.2480	3.0170	2.4672	3.5358		3.8908	1.7645
H10	2.9512	2.1932	1.0854	2.9479	2.2433	2.4601	3.0404	1.7645	3.8908		3.4009
H11	2.9512	2.1932	2.9479	1.0854	2.2433	2.4601	3.0404	3.8908	1.7645	3.4009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.663	O1	C2	C4	133.663
C2	C3	C5	88.087	C2	C3	H8	113.744
C2	C3	H10	113.112	C2	C4	C5	88.087
C2	C4	H9	113.744	C2	C4	H11	113.112
C3	C2	C4	92.660	C3	C5	C4	91.051
C3	C5	H6	114.009	C3	C5	H7	114.016
C4	C5	H6	114.009	C4	C5	H7	114.016
C5	C3	H8	116.208	C5	C3	H10	115.735
C5	C4	H9	116.208	C5	C4	H11	115.735
H6	C5	H7	108.979	H8	C3	H10	108.829
H9	C4	H11	108.829

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)