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	hartrees
Energy at 0K	-268.878959
Energy at 298.15K	-268.888896
HF Energy	-268.878959
Nuclear repulsion energy	236.626095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3270	2951	5.67
2	A	3253	2936	32.46
3	A	3195	2884	14.63
4	A	3192	2881	17.93
5	A	2041	1842	302.15
6	A	1643	1483	0.59
7	A	1585	1430	0.13
8	A	1476	1333	0.36
9	A	1440	1300	0.02
10	A	1333	1203	0.29
11	A	1291	1165	1.65
12	A	1104	996	0.33
13	A	1051	949	0.05
14	A	954	862	0.25
15	A	882	796	0.42
16	A	770	695	0.22
17	A	610	550	5.79
18	A	247	223	0.04
19	B	3271	2952	41.36
20	B	3257	2940	45.48
21	B	3197	2886	47.64
22	B	3193	2882	16.03
23	B	1625	1467	3.89
24	B	1586	1432	17.48
25	B	1472	1329	3.16
26	B	1434	1294	10.65
27	B	1370	1237	0.57
28	B	1283	1158	34.26
29	B	1277	1152	36.69
30	B	1037	936	9.62
31	B	1002	905	1.48
32	B	915	826	6.10
33	B	628	567	3.11
34	B	509	460	8.54
35	B	488	440	7.86
36	B	102	92	6.17

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	2.110
C2	0.000	0.000	0.922
C3	0.000	1.239	0.035
C4	0.000	-1.239	0.035
C5	0.300	0.709	-1.372
C6	-0.300	-0.709	-1.372
H7	-0.995	1.676	0.086
H8	0.995	-1.676	0.086
H9	0.699	1.978	0.407
H10	-0.699	-1.978	0.407
H11	-0.107	1.336	-2.157
H12	0.107	-1.336	-2.157
H13	1.375	0.653	-1.525
H14	-1.375	-0.653	-1.525

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
O1		1.1887	2.4166	2.4166	3.5661	3.5661	2.8099	2.8099	2.7023	2.7023	4.4725	4.4725	3.9414	3.9414
C2	1.1887		1.5231	1.5231	2.4191	2.4191	2.1206	2.1206	2.1601	2.1601	3.3574	3.3574	2.8816	2.8816
C3	2.4166	1.5231		2.4773	1.5329	2.4215	1.0882	3.0804	1.0832	3.3126	2.1968	3.3829	2.1608	2.8111
C4	2.4166	1.5231	2.4773		2.4215	1.5329	3.0804	1.0882	3.3126	1.0832	3.3829	2.1968	2.8111	2.1608
C5	3.5661	2.4191	1.5329	2.4215		1.5399	2.1765	2.8809	2.2209	3.3737	1.0836	2.1989	1.0872	2.1636
C6	3.5661	2.4191	2.4215	1.5329	1.5399		2.8809	2.1765	3.3737	2.2209	2.1989	1.0836	2.1636	1.0872
H7	2.8099	2.1206	1.0882	3.0804	2.1765	2.8809		3.8985	1.7502	3.6801	2.4365	3.9138	3.0432	2.8574
H8	2.8099	2.1206	3.0804	1.0882	2.8809	2.1765	3.8985		3.6801	1.7502	3.9138	2.4365	2.8574	3.0432
H9	2.7023	2.1601	1.0832	3.3126	2.2209	3.3737	1.7502	3.6801		4.1957	2.7630	4.2313	2.4388	3.8669
H10	2.7023	2.1601	3.3126	1.0832	3.3737	2.2209	3.6801	1.7502	4.1957		4.2313	2.7630	3.8669	2.4388
H11	4.4725	3.3574	2.1968	3.3829	1.0836	2.1989	2.4365	3.9138	2.7630	4.2313		2.6800	1.7493	2.4410
H12	4.4725	3.3574	3.3829	2.1968	2.1989	1.0836	3.9138	2.4365	4.2313	2.7630	2.6800		2.4410	1.7493
H13	3.9414	2.8816	2.1608	2.8111	1.0872	2.1636	3.0432	2.8574	2.4388	3.8669	1.7493	2.4410		3.0431
H14	3.9414	2.8816	2.8111	2.1608	2.1636	1.0872	2.8574	3.0432	3.8669	2.4388	2.4410	1.7493	3.0431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	125.585	O1	C2	C4	125.585
C2	C3	C5	104.670	C2	C3	H7	107.436
C2	C3	H9	110.824	C2	C4	C6	104.670
C2	C4	H8	107.436	C2	C4	H10	110.824
C3	C2	C4	108.829	C3	C5	C6	104.004
C3	C5	H11	113.074	C3	C5	H13	109.952
C4	C6	C5	104.004	C4	C6	H12	113.074
C4	C6	H14	109.952	C5	C3	H7	111.148
C5	C3	H9	115.116	C5	C6	H12	112.732
C5	C6	H14	109.683	C6	C4	H8	111.148
C6	C4	H10	115.116	C6	C5	H11	112.732
C6	C5	H13	109.683	H7	C3	H9	107.426
H8	C4	H10	107.426	H11	C5	H13	107.376
H12	C6	H14	107.376

All results from a given calculation for C₅H₈O (Cyclopentanone)

using model chemistry: HF/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	-0.532
2	C	0.511
3	C	-0.309
4	C	-0.309
5	C	-0.247
6	C	-0.247
7	H	0.154
8	H	0.154
9	H	0.158
10	H	0.158
11	H	0.130
12	H	0.130
13	H	0.125
14	H	0.125

	x	y	z
x	6.260	0.040	0.000
y	0.040	7.366	0.000
z	0.000	0.000	8.108

<r²>	151.842
(<r²>)^1/2	12.322

All results from a given calculation for C5H8O (Cyclopentanone)

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

States and conformations

All results from a given calculation for C₅H₈O (Cyclopentanone)