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	hartrees
Energy at 0K	-270.456180
Energy at 298.15K	-270.465600
HF Energy	-270.456180
Nuclear repulsion energy	232.702485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3036	3013	7.84
2	A	3025	3001	24.45
3	A	2969	2946	24.75
4	A	2958	2936	5.64
5	A	1759	1745	188.02
6	A	1485	1473	0.31
7	A	1425	1415	0.64
8	A	1309	1299	1.27
9	A	1270	1260	0.39
10	A	1190	1181
11	A	1137	1129	0.26
12	A	1001	993	0.64
13	A	939	932	0.12
14	A	865	858	0.17
15	A	777	771	1.26
16	A	682	677	1.88
17	A	548	544	4.58
18	A	224	222	0.09
19	B	3037	3014	34.76
20	B	3029	3006	32.59
21	B	2975	2952	41.82
22	B	2958	2935	9.12
23	B	1473	1461	2.60
24	B	1425	1414	12.65
25	B	1309	1299	6.14
26	B	1261	1252	3.08
27	B	1215	1206	0.76
28	B	1131	1122	0.85
29	B	1096	1088	82.41
30	B	943	935	8.74
31	B	900	893	0.84
32	B	816	810	12.74
33	B	569	565	2.58
34	B	452	449	2.72
35	B	434	431	3.19
36	B	102	102	4.64

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	2.160
C2	0.000	0.000	0.937
C3	0.000	1.255	0.028
C4	0.000	-1.255	0.028
C5	0.298	0.721	-1.394
C6	-0.298	-0.721	-1.394
H7	-1.012	1.698	0.085
H8	1.012	-1.698	0.085
H9	0.701	2.014	0.406
H10	-0.701	-2.014	0.406
H11	-0.121	1.352	-2.192
H12	0.121	-1.352	-2.192
H13	1.389	0.672	-1.555
H14	-1.389	-0.672	-1.555

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
O1		1.2229	2.4731	2.4731	3.6382	3.6382	2.8652	2.8652	2.7606	2.7606	4.5586	4.5586	4.0222	4.0222
C2	1.2229		1.5489	1.5489	2.4577	2.4577	2.1521	2.1521	2.1973	2.1973	3.4106	3.4106	2.9307	2.9307
C3	2.4731	1.5489		2.5091	1.5481	2.4523	1.1063	3.1214	1.1004	3.3639	2.2261	3.4261	2.1850	2.8546
C4	2.4731	1.5489	2.5091		2.4523	1.5481	3.1214	1.1063	3.3639	1.1004	3.4261	2.2261	2.8546	2.1850
C5	3.6382	2.4577	1.5481	2.4523		1.5598	2.2041	2.9236	2.2527	3.4229	1.1005	2.2279	1.1040	2.1936
C6	3.6382	2.4577	2.4523	1.5481	1.5598		2.9236	2.2041	3.4229	2.2527	2.2279	1.1005	2.1936	1.1040
H7	2.8652	2.1521	1.1063	3.1214	2.2041	2.9236		3.9529	1.7716	3.7381	2.4699	3.9712	3.0831	2.9067
H8	2.8652	2.1521	3.1214	1.1063	2.9236	2.2041	3.9529		3.7381	1.7716	3.9712	2.4699	2.9067	3.0831
H9	2.7606	2.1973	1.1004	3.3639	2.2527	3.4229	1.7716	3.7381		4.2646	2.8049	4.2911	2.4733	3.9281
H10	2.7606	2.1973	3.3639	1.1004	3.4229	2.2527	3.7381	1.7716	4.2646		4.2911	2.8049	3.9281	2.4733
H11	4.5586	3.4106	2.2261	3.4261	1.1005	2.2279	2.4699	3.9712	2.8049	4.2911		2.7141	1.7745	2.4718
H12	4.5586	3.4106	3.4261	2.2261	2.2279	1.1005	3.9712	2.4699	4.2911	2.8049	2.7141		2.4718	1.7745
H13	4.0222	2.9307	2.1850	2.8546	1.1040	2.1936	3.0831	2.9067	2.4733	3.9281	1.7745	2.4718		3.0863
H14	4.0222	2.9307	2.8546	2.1850	2.1936	1.1040	2.9067	3.0831	3.9281	2.4733	2.4718	1.7745	3.0863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	125.907	O1	C2	C4	125.907
C2	C3	C5	105.045	C2	C3	H7	107.113
C2	C3	H9	110.941	C2	C4	C6	105.045
C2	C4	H8	107.113	C2	C4	H10	110.941
C3	C2	C4	108.187	C3	C5	C6	104.193
C3	C5	H11	113.306	C3	C5	H13	109.821
C4	C6	C5	104.193	C4	C6	H12	113.306
C4	C6	H14	109.821	C5	C3	H7	111.181
C5	C3	H9	115.514	C5	C6	H12	112.601
C5	C6	H14	109.687	C6	C4	H8	111.181
C6	C4	H10	115.514	C6	C5	H11	112.601
C6	C5	H13	109.687	H7	C3	H9	106.802
H8	C4	H10	106.802	H11	C5	H13	107.214
H12	C6	H14	107.214

All results from a given calculation for C₅H₈O (Cyclopentanone)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.421
2	C	0.389
3	C	-0.216
4	C	-0.216
5	C	-0.171
6	C	-0.171
7	H	0.117
8	H	0.117
9	H	0.110
10	H	0.110
11	H	0.085
12	H	0.085
13	H	0.092
14	H	0.092

	x	y	z
x	6.587	0.051	0.000
y	0.051	8.192	0.000
z	0.000	0.000	8.853

<r²>	155.898
(<r²>)^1/2	12.486

All results from a given calculation for C5H8O (Cyclopentanone)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₅H₈O (Cyclopentanone)