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	hartrees
Energy at 0K	-231.088948
Energy at 298.15K	-231.083841
HF Energy	-231.246315
Nuclear repulsion energy	167.104264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3030	25.51
2	A'	3105	2997	5.03
3	A'	3085	2977	23.68
4	A'	3060	2953	7.47
5	A'	1896	1829	267.27
6	A'	1496	1444	0.34
7	A'	1444	1393	1.44
8	A'	1240	1197	2.25
9	A'	1221	1178	0.22
10	A'	1097	1059	0.34
11	A'	972	938	1.52
12	A'	844	814	2.12
13	A'	735	709	3.49
14	A'	675	652	1.13
15	A'	407	393	1.12
16	A'	49	47	3.54
17	A"	3111	3002	1.65
18	A"	3056	2949	15.45
19	A"	1428	1378	13.26
20	A"	1272	1227	8.97
21	A"	1226	1183	0.42
22	A"	1185	1143	1.15
23	A"	1075	1037	82.96
24	A"	945	912	0.14
25	A"	925	893	0.77
26	A"	622	600	0.01
27	A"	459	443	2.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.093	1.874	0.000
C2	0.000	0.682	0.000
C3	-0.056	-0.384	1.110
C4	-0.056	-0.384	-1.110
C5	0.035	-1.476	0.000
H6	-0.775	-2.206	0.000
H7	0.986	-2.012	0.000
H8	0.759	-0.337	1.838
H9	0.759	-0.337	-1.838
H10	-1.004	-0.365	1.658
H11	-1.004	-0.365	-1.658

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.1956	2.5208	2.5208	3.3513	4.1719	3.9881	2.9511	2.9511	2.9946	2.9946
C2	1.1956		1.5402	1.5402	2.1591	2.9908	2.8695	2.2340	2.2340	2.2032	2.2032
C3	2.5208	1.5402		2.2198	1.5600	2.2515	2.2293	1.0935	3.0585	1.0948	2.9256
C4	2.5208	1.5402	2.2198		1.5600	2.2515	2.2293	3.0585	1.0935	2.9256	1.0948
C5	3.3513	2.1591	1.5600	1.5600		1.0906	1.0913	2.2801	2.2801	2.2502	2.2502
H6	4.1719	2.9908	2.2515	2.2515	1.0906		1.7716	3.0371	3.0371	2.4881	2.4881
H7	3.9881	2.8695	2.2293	2.2293	1.0913	1.7716		2.4973	2.4973	3.0694	3.0694
H8	2.9511	2.2340	1.0935	3.0585	2.2801	3.0371	2.4973		3.6753	1.7717	3.9149
H9	2.9511	2.2340	3.0585	1.0935	2.2801	3.0371	2.4973	3.6753		3.9149	1.7717
H10	2.9946	2.2032	1.0948	2.9256	2.2502	2.4881	3.0694	1.7717	3.9149		3.3159
H11	2.9946	2.2032	2.9256	1.0948	2.2502	2.4881	3.0694	3.9149	1.7717	3.3159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	133.821	O1	C2	C4	133.821
C2	C3	C5	88.459	C2	C3	H8	113.658
C2	C3	H10	113.658	C2	C4	C5	88.459
C2	C4	H9	113.658	C2	C4	H11	113.658
C3	C2	C4	92.359	C3	C5	C4	90.723
C3	C5	H6	114.247	C3	C5	H7	114.247
C4	C5	H6	114.247	C4	C5	H7	114.247
C5	C3	H8	116.030	C5	C3	H10	116.030
C5	C4	H9	116.030	C5	C4	H11	116.030
H6	C5	H7	108.468	H8	C3	H10	108.134
H9	C4	H11	108.134

All results from a given calculation for C₄H₆O (Cyclobutanone)

using model chemistry: G4

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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Number	Element	Mulliken
1	O	-0.282
2	C	0.404
3	C	-0.331
4	C	-0.331
5	C	-0.216
6	H	0.111
7	H	0.115
8	H	0.131
9	H	0.131
10	H	0.133
11	H	0.133

	x	y	z	Total
	-0.220	-2.705	0.000	2.714
CHELPG
AIM
ESP

<r²>	106.264
(<r²>)^1/2	10.308

All results from a given calculation for C4H6O (Cyclobutanone)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₆O (Cyclobutanone)