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	hartrees
Energy at 0K	-269.947660
Energy at 298.15K	-269.960030
Nuclear repulsion energy	253.390574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4058	3654	25.90
2	A	3301	2972	136.49
3	A	3287	2960	66.25
4	A	3273	2947	11.44
5	A	3258	2933	17.67
6	A	3241	2918	26.20
7	A	3232	2910	86.68
8	A	3218	2897	103.89
9	A	3212	2892	22.32
10	A	3201	2882	47.33
11	A	1673	1507	4.09
12	A	1655	1490	8.54
13	A	1652	1488	8.18
14	A	1644	1481	1.83
15	A	1560	1405	7.04
16	A	1512	1361	19.44
17	A	1483	1335	3.82
18	A	1476	1329	2.41
19	A	1457	1312	3.23
20	A	1435	1292	0.25
21	A	1405	1265	6.96
22	A	1368	1231	11.51
23	A	1342	1208	23.54
24	A	1324	1192	1.29
25	A	1290	1162	25.11
26	A	1185	1067	38.99
27	A	1173	1056	80.27
28	A	1139	1026	22.24
29	A	1094	985	1.20
30	A	1070	963	4.28
31	A	1025	923	13.21
32	A	970	874	2.49
33	A	933	840	0.42
34	A	898	809	0.07
35	A	846	762	4.20
36	A	684	616	0.65
37	A	580	523	5.93
38	A	501	451	11.96
39	A	375	338	15.63
40	A	293	264	206.36
41	A	183	165	1.24
42	A	34	31	0.86

Atom	x (Å)	y (Å)	z (Å)
H1	-1.996	1.093	-0.969
H2	-2.029	1.243	0.762
C3	-1.495	0.784	-0.060
H4	-2.180	-1.245	-0.604
H5	-1.794	-1.055	1.083
C6	-1.490	-0.769	0.082
H7	0.172	-1.290	-1.233
H8	0.228	-2.138	0.296
C9	-0.031	-1.198	-0.172
H10	0.187	2.083	0.538
H11	0.309	1.461	-1.092
C12	-0.003	1.216	-0.083
H13	0.823	-0.072	1.456
C14	0.785	-0.027	0.370
H15	2.695	0.602	0.170
O16	2.124	-0.089	-0.154

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7380	1.0828	2.3731	2.9773	2.1974	3.2319	4.1208	3.1210	2.8315	2.3374	2.1842	3.8962	3.2831	4.8516	4.3629
H2	1.7380		1.0831	2.8423	2.3323	2.1921	3.9042	4.0919	3.2901	2.3809	2.9924	2.1959	3.2167	3.1124	4.8041	4.4572
C3	1.0828	1.0831		2.2088	2.1854	1.5596	2.9074	3.4101	2.4660	2.2082	2.1859	1.5535	2.8986	2.4575	4.1998	3.7240
H4	2.3731	2.8423	2.2088		1.7410	1.0825	2.4348	2.7208	2.1917	4.2404	3.7083	3.3260	3.8250	3.3494	5.2693	4.4787
H5	2.9773	2.3323	2.1854	1.7410		1.0847	3.0471	2.4248	2.1687	3.7506	3.9346	3.1181	2.8197	2.8658	4.8706	4.2205
C6	2.1974	2.1921	1.5596	1.0825	1.0847		2.1820	2.2064	1.5412	3.3404	3.0964	2.4857	2.7789	2.4100	4.4042	3.6849
H7	3.2319	3.9042	2.9074	2.4348	3.0471	2.1820		1.7495	1.0840	3.8097	2.7572	2.7621	3.0224	2.1308	3.4509	2.5329
H8	4.1208	4.0919	3.4101	2.7208	2.4248	2.2064	1.7495		1.0816	4.2280	3.8576	3.3826	2.4423	2.1841	3.6884	2.8273
C9	3.1210	3.2901	2.4660	2.1917	2.1687	1.5412	1.0840	1.0816		3.3642	2.8335	2.4153	2.1556	1.5267	3.2842	2.4238
H10	2.8315	2.3809	2.2082	4.2404	3.7506	3.3404	3.8097	4.2280	3.3642		1.7494	1.0840	2.4272	2.1997	2.9357	2.9919
H11	2.3374	2.9924	2.1859	3.7083	3.9346	3.0964	2.7572	3.8576	2.8335	1.7494		1.0839	3.0171	2.1395	2.8320	2.5643
C12	2.1842	2.1959	1.5535	3.3260	3.1181	2.4857	2.7621	3.3826	2.4153	1.0840	1.0839		2.1699	1.5397	2.7781	2.4965
H13	3.8962	3.2167	2.8986	3.8250	2.8197	2.7789	3.0224	2.4423	2.1556	2.4272	3.0171	2.1699		1.0869	2.3685	2.0698
C14	3.2831	3.1124	2.4575	3.3494	2.8658	2.4100	2.1308	2.1841	1.5267	2.1997	2.1395	1.5397	1.0869		2.0207	1.4397
H15	4.8516	4.8041	4.1998	5.2693	4.8706	4.4042	3.4509	3.6884	3.2842	2.9357	2.8320	2.7781	2.3685	2.0207		0.9528
O16	4.3629	4.4572	3.7240	4.4787	4.2205	3.6849	2.5329	2.8273	2.4238	2.9919	2.5643	2.4965	2.0698	1.4397	0.9528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.728	H1	C3	C6	111.241
H1	C3	C12	110.628	H2	C3	C6	110.801
H2	C3	C12	111.545	C3	C6	H4	112.178
C3	C6	H5	110.179	C3	C6	C9	105.359
C3	C12	H10	112.483	C3	C12	H11	110.689
C3	C12	C14	105.218	H4	C6	H5	106.906
H4	C6	C9	112.119	H5	C6	C9	110.141
C6	C3	C12	105.971	C6	C9	H7	111.249
C6	C9	H8	113.382	C6	C9	C14	103.538
H7	C9	H8	107.775	H7	C9	C14	108.207
H8	C9	C14	112.602	C9	C14	C12	103.935
C9	C14	H13	109.989	C9	C14	O16	109.552
H10	C12	H11	107.593	H10	C12	C14	112.793
H11	C12	C14	108.009	C12	C14	H13	110.218
C12	C14	O16	113.801	H13	C14	O16	109.218
C14	O16	H15	113.694

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: HF/SDD

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	H	0.181
2	H	0.179
3	C	-0.350
4	H	0.186
5	H	0.175
6	C	-0.370
7	H	0.179
8	H	0.201
9	C	-0.364
10	H	0.178
11	H	0.189
12	C	-0.384
13	H	0.155
14	C	0.108
15	H	0.382
16	O	-0.645

	x	y	z	Total
	-0.946	1.441	1.251	2.130
CHELPG
AIM
ESP

	x	y	z
x	8.162	0.222	-0.021
y	0.222	7.560	0.082
z	-0.021	0.082	6.631

<r²>	167.725
(<r²>)^1/2	12.951

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)