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	hartrees
Energy at 0K	-271.644306
Energy at 298.15K	-271.656334
Nuclear repulsion energy	255.031147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3868	3694	17.07
2	A	3148	3006	61.77
3	A	3137	2995	15.35
4	A	3123	2982	5.13
5	A	3117	2976	38.04
6	A	3092	2952	34.21
7	A	3080	2940	27.05
8	A	3074	2935	23.43
9	A	3064	2925	30.49
10	A	2983	2848	53.67
11	A	1528	1459	2.82
12	A	1501	1434	5.10
13	A	1499	1431	2.46
14	A	1487	1420	0.74
15	A	1439	1374	4.24
16	A	1385	1322	34.21
17	A	1342	1281	0.08
18	A	1331	1271	1.26
19	A	1320	1260	9.10
20	A	1298	1239	7.13
21	A	1276	1218	18.26
22	A	1265	1208	2.93
23	A	1214	1159	26.58
24	A	1203	1149	0.50
25	A	1191	1137	1.82
26	A	1136	1085	62.99
27	A	1088	1039	35.11
28	A	1067	1018	5.12
29	A	988	943	0.77
30	A	977	932	8.50
31	A	960	917	2.62
32	A	910	869	0.08
33	A	897	856	0.08
34	A	820	783	0.97
35	A	767	732	1.94
36	A	612	584	0.60
37	A	538	514	5.90
38	A	461	441	7.32
39	A	357	341	17.39
40	A	293	280	111.43
41	A	181	173	1.00
42	A	34	32	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.181	1.280	-0.562
H2	-1.709	1.087	1.116
C3	-1.460	0.788	0.093
H4	-2.037	-1.074	-0.922
H5	-2.007	-1.203	0.823
C6	-1.492	-0.756	-0.031
H7	0.280	-1.413	-1.131
H8	0.196	-2.094	0.490
C9	-0.020	-1.201	-0.100
H10	0.270	2.150	0.188
H11	0.158	1.201	-1.302
C12	-0.017	1.177	-0.221
H13	0.766	0.072	1.454
C14	0.785	0.010	0.353
H15	2.598	0.670	0.199
O16	2.111	-0.098	-0.116

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7536	1.0918	2.3859	2.8484	2.2141	3.6924	4.2593	3.3232	2.7074	2.4553	2.1940	3.7694	3.3537	4.8780	4.5307
H2	1.7536		1.0943	2.9883	2.3278	2.1813	3.9059	3.7605	3.0936	2.4310	3.0573	2.1587	2.6964	2.8217	4.4235	4.1857
C3	1.0918	1.0943		2.1977	2.1895	1.5488	3.0610	3.3472	2.4635	2.2044	2.1765	1.5277	2.7051	2.3898	4.0613	3.6857
H4	2.3859	2.9883	2.1977		1.7494	1.0921	2.3511	2.8319	2.1822	4.1174	3.1845	3.1051	3.8491	3.2811	5.0780	4.3378
H5	2.8484	2.3278	2.1895	1.7494		1.0924	3.0152	2.3994	2.1911	4.1027	3.8705	3.2732	3.1166	3.0801	5.0104	4.3663
C6	2.2141	2.1813	1.5488	1.0921	1.0924		2.1869	2.2160	1.5398	3.4056	2.8580	2.4388	2.8262	2.4327	4.3376	3.6641
H7	3.6924	3.9059	3.0610	2.3511	3.0152	2.1869		1.7603	1.0944	3.7996	2.6221	2.7611	3.0207	2.1176	3.3888	2.4731
H8	4.2593	3.7605	3.3472	2.8319	2.3994	2.2160	1.7603		1.0915	4.2556	3.7507	3.3539	2.4387	2.1897	3.6738	2.8324
C9	3.3232	3.0936	2.4635	2.1822	2.1911	1.5398	1.0944	1.0915		3.3764	2.6919	2.3812	2.1573	1.5235	3.2319	2.4001
H10	2.7074	2.4310	2.2044	4.1174	4.1027	3.4056	3.7996	4.2556	3.3764		1.7704	1.0940	2.4831	2.2069	2.7586	2.9217
H11	2.4553	3.0573	2.1765	3.1845	3.8705	2.8580	2.6221	3.7507	2.6919	1.7704		1.0956	3.0392	2.1326	2.9133	2.6283
C12	2.1940	2.1587	1.5277	3.1051	3.2732	2.4388	2.7611	3.3539	2.3812	1.0940	1.0956		2.1532	1.5270	2.6962	2.4828
H13	3.7694	2.6964	2.7051	3.8491	3.1166	2.8262	3.0207	2.4387	2.1573	2.4831	3.0392	2.1532		1.1027	2.2997	2.0746
C14	3.3537	2.8217	2.3898	3.2811	3.0801	2.4327	2.1176	2.1897	1.5235	2.2069	2.1326	1.5270	1.1027		1.9357	1.4113
H15	4.8780	4.4235	4.0613	5.0780	5.0104	4.3376	3.3888	3.6738	3.2319	2.7586	2.9133	2.6962	2.2997	1.9357		0.9621
O16	4.5307	4.1857	3.6857	4.3378	4.3663	3.6641	2.4731	2.8324	2.4001	2.9217	2.6283	2.4828	2.0746	1.4113	0.9621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.677	H1	C3	C6	112.818
H1	C3	C12	112.706	H2	C3	C6	110.046
H2	C3	C12	109.732	C3	C6	H4	111.475
C3	C6	H5	110.801	C3	C6	C9	105.802
C3	C12	H10	113.421	C3	C12	H11	111.060
C3	C12	C14	102.951	H4	C6	H5	106.416
H4	C6	C9	110.875	H5	C6	C9	111.562
C6	C3	C12	104.882	C6	C9	H7	111.103
C6	C9	H8	113.645	C6	C9	C14	105.147
H7	C9	H8	107.284	H7	C9	C14	106.828
H8	C9	C14	112.681	C9	C14	C12	102.631
C9	C14	H13	109.413	C9	C14	O16	109.669
H10	C12	H11	107.907	H10	C12	C14	113.680
H11	C12	C14	107.682	C12	C14	H13	108.860
C12	C14	O16	115.283	H13	C14	O16	110.620
C14	O16	H15	107.777

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: B1B95/6-31G**

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	H	0.119
2	H	0.120
3	C	-0.239
4	H	0.122
5	H	0.119
6	C	-0.238
7	H	0.133
8	H	0.121
9	C	-0.232
10	H	0.105
11	H	0.126
12	C	-0.247
13	H	0.093
14	C	0.138
15	H	0.312
16	O	-0.552

	x	y	z	Total
	-0.513	1.180	0.767	1.498
CHELPG
AIM
ESP

	x	y	z
x	8.621	0.215	-0.015
y	0.215	8.131	0.087
z	-0.015	0.087	7.277

<r²>	164.540
(<r²>)^1/2	12.827

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)