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	hartrees
Energy at 0K	-269.104090
Energy at 298.15K	-269.113598
HF Energy	-269.104090
Nuclear repulsion energy	236.391869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3070	3012	4.76
2	A	3059	3002	14.62
3	A	2989	2933	17.52
4	A	2975	2919	3.69
5	A	1842	1807	201.97
6	A	1465	1437	3.26
7	A	1400	1374	0.01
8	A	1308	1283	0.12
9	A	1270	1246	4.96
10	A	1185	1163	0.27
11	A	1157	1136	0.00
12	A	1034	1015	0.81
13	A	931	913	1.14
14	A	916	899	0.25
15	A	815	799	0.86
16	A	703	690	0.92
17	A	546	536	6.56
18	A	244	239	0.13
19	B	3070	3012	7.69
20	B	3063	3006	18.34
21	B	2997	2941	31.03
22	B	2975	2920	1.14
23	B	1451	1424	9.67
24	B	1401	1374	29.03
25	B	1308	1283	3.38
26	B	1259	1236	15.22
27	B	1222	1199	12.03
28	B	1154	1132	74.12
29	B	1127	1106	1.88
30	B	973	955	10.92
31	B	899	882	1.52
32	B	837	821	13.44
33	B	572	562	2.82
34	B	460	452	4.48
35	B	437	429	2.59
36	B	112	110	5.24

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	2.127
C2	0.000	0.000	0.915
C3	0.000	1.226	0.022
C4	0.000	-1.226	0.022
C5	0.314	0.696	-1.365
C6	-0.314	-0.696	-1.365
H7	-1.026	1.647	0.062
H8	1.026	-1.647	0.062
H9	0.674	2.005	0.415
H10	-0.674	-2.005	0.415
H11	-0.057	1.338	-2.180
H12	0.057	-1.338	-2.180
H13	1.410	0.608	-1.493
H14	-1.410	-0.608	-1.493

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
O1		1.2118	2.4353	2.4353	3.5740	3.5740	2.8332	2.8332	2.7207	2.7207	4.5105	4.5105	3.9315	3.9315
C2	1.2118		1.5164	1.5164	2.4042	2.4042	2.1192	2.1192	2.1733	2.1733	3.3726	3.3726	2.8554	2.8554
C3	2.4353	1.5164		2.4521	1.5178	2.3912	1.1094	3.0506	1.1023	3.3239	2.2064	3.3811	2.1600	2.7652
C4	2.4353	1.5164	2.4521		2.3912	1.5178	3.0506	1.1094	3.3239	1.1023	3.3811	2.2064	2.7652	2.1600
C5	3.5740	2.4042	1.5178	2.3912		1.5273	2.1758	2.8339	2.2388	3.3825	1.1024	2.2067	1.1069	2.1651
C6	3.5740	2.4042	2.3912	1.5178	1.5273		2.8339	2.1758	3.3825	2.2388	2.2067	1.1024	2.1651	1.1069
H7	2.8332	2.1192	1.1094	3.0506	2.1758	2.8339		3.8801	1.7726	3.6856	2.4619	3.8873	3.0706	2.7653
H8	2.8332	2.1192	3.0506	1.1094	2.8339	2.1758	3.8801		3.6856	1.7726	3.8873	2.4619	2.7653	3.0706
H9	2.7207	2.1733	1.1023	3.3239	2.2388	3.3825	1.7726	3.6856		4.2304	2.7781	4.2774	2.4771	3.8482
H10	2.7207	2.1733	3.3239	1.1023	3.3825	2.2388	3.6856	1.7726	4.2304		4.2774	2.7781	3.8482	2.4771
H11	4.5105	3.3726	2.2064	3.3811	1.1024	2.2067	2.4619	3.8873	2.7781	4.2774		2.6790	1.7774	2.4675
H12	4.5105	3.3726	3.3811	2.2064	2.2067	1.1024	3.8873	2.4619	4.2774	2.7781	2.6790		2.4675	1.7774
H13	3.9315	2.8554	2.1600	2.7652	1.1069	2.1651	3.0706	2.7653	2.4771	3.8482	1.7774	2.4675		3.0704
H14	3.9315	2.8554	2.7652	2.1600	2.1651	1.1069	2.7653	3.0706	3.8482	2.4771	2.4675	1.7774	3.0704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	126.049	O1	C2	C4	126.049
C2	C3	C5	104.808	C2	C3	H7	106.591
C2	C3	H9	111.195	C2	C4	C6	104.808
C2	C4	H8	106.591	C2	C4	H10	111.195
C3	C2	C4	107.902	C3	C5	C6	103.489
C3	C5	H11	113.774	C3	C5	H13	109.772
C4	C6	C5	103.489	C4	C6	H12	113.774
C4	C6	H14	109.772	C5	C3	H7	110.860
C5	C3	H9	116.502	C5	C6	H12	113.112
C5	C6	H14	109.522	C6	C4	H8	110.860
C6	C4	H10	116.502	C6	C5	H11	113.112
C6	C5	H13	109.522	H7	C3	H9	106.530
H8	C4	H10	106.530	H11	C5	H13	107.127
H12	C6	H14	107.127

All results from a given calculation for C₅H₈O (Cyclopentanone)

using model chemistry: LSDA/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	-0.393
2	C	0.390
3	C	-0.411
4	C	-0.411
5	C	-0.343
6	C	-0.343
7	H	0.204
8	H	0.204
9	H	0.202
10	H	0.202
11	H	0.175
12	H	0.175
13	H	0.175
14	H	0.175

	x	y	z
x	6.567	0.026	0.000
y	0.026	8.039	0.000
z	0.000	0.000	8.648

<r²>	151.130
(<r²>)^1/2	12.293

All results from a given calculation for C5H8O (Cyclopentanone)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for C₅H₈O (Cyclopentanone)