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	hartrees
Energy at 0K	-271.670640
Energy at 298.15K	-271.682679
Nuclear repulsion energy	254.054656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3623	14.25
2	A	3136	3000	71.68
3	A	3125	2989	16.98
4	A	3111	2976	4.40
5	A	3104	2969	41.58
6	A	3082	2948	34.13
7	A	3071	2938	31.02
8	A	3066	2933	24.08
9	A	3057	2924	31.46
10	A	2977	2848	56.81
11	A	1547	1480	2.58
12	A	1522	1456	5.13
13	A	1519	1453	2.47
14	A	1507	1442	0.67
15	A	1452	1389	3.56
16	A	1395	1335	35.08
17	A	1352	1294	0.11
18	A	1344	1285	1.60
19	A	1333	1275	9.02
20	A	1312	1256	4.96
21	A	1291	1235	19.67
22	A	1273	1218	1.37
23	A	1225	1172	25.54
24	A	1211	1159	0.14
25	A	1202	1150	2.69
26	A	1131	1082	66.80
27	A	1090	1043	32.73
28	A	1067	1021	3.93
29	A	995	952	1.30
30	A	982	940	4.95
31	A	969	927	6.02
32	A	910	870	0.06
33	A	892	854	0.13
34	A	824	789	0.77
35	A	771	737	2.43
36	A	626	599	0.55
37	A	541	517	5.57
38	A	471	451	7.73
39	A	359	343	18.23
40	A	297	284	115.16
41	A	181	173	1.02
42	A	32	30	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.167	1.261	-0.631
H2	-1.768	1.121	1.074
C3	-1.471	0.791	0.071
H4	-2.073	-1.113	-0.873
H5	-1.976	-1.187	0.877
C6	-1.495	-0.762	-0.011
H7	0.261	-1.398	-1.157
H8	0.206	-2.110	0.457
C9	-0.021	-1.204	-0.114
H10	0.264	2.151	0.241
H11	0.183	1.246	-1.281
C12	-0.013	1.186	-0.202
H13	0.776	0.048	1.458
C14	0.789	0.004	0.353
H15	2.606	0.671	0.210
O16	2.119	-0.098	-0.119

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7569	1.0948	2.3885	2.8821	2.2204	3.6390	4.2637	3.3095	2.7317	2.4385	2.1972	3.8072	3.3592	4.8819	4.5255
H2	1.7569		1.0968	2.9789	2.3260	2.1904	3.9291	3.8358	3.1418	2.4255	3.0609	2.1707	2.7871	2.8810	4.4807	4.2446
C3	1.0948	1.0968		2.2090	2.1954	1.5559	3.0494	3.3729	2.4737	2.2106	2.1841	1.5346	2.7426	2.4090	4.0805	3.7032
H4	2.3885	2.9789	2.2090		1.7540	1.0949	2.3676	2.8202	2.1896	4.1658	3.2891	3.1588	3.8590	3.3073	5.1226	4.3785
H5	2.8821	2.3260	2.1954	1.7540		1.0956	3.0306	2.4059	2.1925	4.0701	3.9037	3.2638	3.0718	3.0557	4.9892	4.3534
C6	2.2204	2.1904	1.5559	1.0949	1.0956		2.1912	2.2202	1.5431	3.4125	2.9090	2.4557	2.8234	2.4366	4.3500	3.6769
H7	3.6390	3.9291	3.0494	2.3676	3.0306	2.1912		1.7650	1.0973	3.8144	2.6477	2.7688	3.0320	2.1278	3.4132	2.4948
H8	4.2637	3.8358	3.3729	2.8202	2.4059	2.2202	1.7650		1.0945	4.2664	3.7790	3.3687	2.4457	2.1953	3.6816	2.8360
C9	3.3095	3.1418	2.4737	2.1896	2.1925	1.5431	1.0973	1.0945		3.3857	2.7211	2.3922	2.1617	1.5277	3.2434	2.4091
H10	2.7317	2.4255	2.2106	4.1658	4.0701	3.4125	3.8144	4.2664	3.3857		1.7730	1.0971	2.4826	2.2125	2.7700	2.9369
H11	2.4385	3.0609	2.1841	3.2891	3.9037	2.9090	2.6477	3.7790	2.7211	1.7730		1.0981	3.0473	2.1400	2.9019	2.6272
C12	2.1972	2.1707	1.5346	3.1588	3.2638	2.4557	2.7688	3.3687	2.3922	1.0971	1.0981		2.1620	1.5327	2.7007	2.4905
H13	3.8072	2.7871	2.7426	3.8590	3.0718	2.8234	3.0320	2.4457	2.1617	2.4826	3.0473	2.1620		1.1050	2.3009	2.0765
C14	3.3592	2.8810	2.4090	3.3073	3.0557	2.4366	2.1278	2.1953	1.5277	2.2125	2.1400	1.5327	1.1050		1.9410	1.4158
H15	4.8819	4.4807	4.0805	5.1226	4.9892	4.3500	3.4132	3.6816	3.2434	2.7700	2.9019	2.7007	2.3009	1.9410		0.9672
O16	4.5255	4.2446	3.7032	4.3785	4.3534	3.6769	2.4948	2.8360	2.4091	2.9369	2.6272	2.4905	2.0765	1.4158	0.9672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.573	H1	C3	C6	112.627
H1	C3	C12	112.283	H2	C3	C6	110.120
H2	C3	C12	110.047	C3	C6	H4	111.701
C3	C6	H5	110.589	C3	C6	C9	105.921
C3	C12	H10	113.227	C3	C12	H11	111.026
C3	C12	C14	103.509	H4	C6	H5	106.400
H4	C6	C9	111.061	H5	C6	C9	111.253
C6	C3	C12	105.234	C6	C9	H7	111.048
C6	C9	H8	113.563	C6	C9	C14	105.018
H7	C9	H8	107.274	H7	C9	C14	107.165
H8	C9	C14	112.645	C9	C14	C12	102.825
C9	C14	H13	109.338	C9	C14	O16	109.799
H10	C12	H11	107.733	H10	C12	C14	113.519
H11	C12	C14	107.716	C12	C14	H13	109.022
C12	C14	O16	115.213	H13	C14	O16	110.314
C14	O16	H15	107.587

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: B3PW91/6-31G*

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	ESP
1	H	0.167	0.015
2	H	0.164	0.014
3	C	-0.331	0.045
4	H	0.168	0.067
5	H	0.165	0.065
6	C	-0.331	-0.227
7	H	0.176	0.062
8	H	0.169	0.022
9	C	-0.332	-0.024
10	H	0.153	0.030
11	H	0.170	0.071
12	C	-0.347	-0.199
13	H	0.134	-0.019
14	C	0.109	0.347
15	H	0.402	0.407
16	O	-0.635	-0.676

	x	y	z	Total
	-0.534	1.196	0.808	1.538
CHELPG
AIM
ESP	-0.569	1.175	0.803	1.533

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	165.753
(<r²>)^1/2	12.875

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)