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	hartrees
Energy at 0K	-270.088125
Energy at 298.15K	-270.100521
Nuclear repulsion energy	255.313543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4179	3797	49.43
2	A	3240	2943	133.95
3	A	3226	2930	22.33
4	A	3210	2916	8.75
5	A	3202	2909	75.23
6	A	3193	2901	34.48
7	A	3181	2890	49.58
8	A	3171	2881	32.75
9	A	3164	2874	34.45
10	A	3116	2831	54.95
11	A	1647	1496	3.34
12	A	1621	1473	4.48
13	A	1619	1471	3.08
14	A	1605	1458	0.32
15	A	1565	1421	6.31
16	A	1509	1371	38.86
17	A	1461	1327	0.38
18	A	1454	1321	0.92
19	A	1436	1304	11.43
20	A	1419	1289	5.10
21	A	1385	1258	30.52
22	A	1367	1242	1.60
23	A	1327	1206	33.72
24	A	1301	1182	0.52
25	A	1288	1170	10.21
26	A	1214	1103	84.00
27	A	1164	1058	19.82
28	A	1119	1017	1.27
29	A	1055	959	1.30
30	A	1045	949	2.55
31	A	1015	922	6.76
32	A	957	870	0.08
33	A	932	847	0.30
34	A	879	798	0.91
35	A	815	741	1.53
36	A	671	609	0.27
37	A	578	525	7.07
38	A	505	459	8.39
39	A	385	350	15.38
40	A	304	276	126.93
41	A	194	176	0.87
42	A	28	26	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	-2.144	1.253	-0.644
H2	-1.769	1.131	1.052
C3	-1.465	0.794	0.066
H4	-2.081	-1.113	-0.842
H5	-1.952	-1.168	0.893
C6	-1.494	-0.758	-0.002
H7	0.242	-1.389	-1.161
H8	0.202	-2.104	0.435
C9	-0.023	-1.203	-0.124
H10	0.272	2.132	0.255
H11	0.193	1.257	-1.265
C12	-0.004	1.184	-0.198
H13	0.779	0.033	1.440
C14	0.787	-0.003	0.349
H15	2.604	0.635	0.207
O16	2.106	-0.094	-0.114

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7419	1.0840	2.3744	2.8737	2.2091	3.5971	4.2351	3.2866	2.7245	2.4179	2.1875	3.7919	3.3396	4.8637	4.4898
H2	1.7419		1.0861	2.9530	2.3122	2.1811	3.9108	3.8381	3.1437	2.4089	3.0385	2.1634	2.8015	2.8830	4.4817	4.2280
C3	1.0840	1.0861		2.1998	2.1847	1.5545	3.0307	3.3639	2.4711	2.2009	2.1751	1.5349	2.7396	2.4054	4.0749	3.6841
H4	2.3744	2.9530	2.1998		1.7398	1.0842	2.3609	2.7969	2.1814	4.1558	3.3107	3.1628	3.8338	3.2973	5.1093	4.3696
H5	2.8737	2.3122	2.1847	1.7398		1.0850	3.0137	2.3927	2.1815	4.0309	3.8903	3.2432	3.0338	3.0261	4.9483	4.3169
C6	2.2091	2.1811	1.5545	1.0842	1.0850		2.1809	2.2084	1.5420	3.3975	2.9156	2.4561	2.8058	2.4282	4.3339	3.6623
H7	3.5971	3.9108	3.0307	2.3609	3.0137	2.1809		1.7499	1.0862	3.7957	2.6479	2.7584	3.0128	2.1209	3.3984	2.4990
H8	4.2351	3.8381	3.3639	2.7969	2.3927	2.2084	1.7499		1.0841	4.2409	3.7662	3.3549	2.4311	2.1830	3.6508	2.8226
C9	3.2866	3.1437	2.4711	2.1814	2.1815	1.5420	1.0862	1.0841		3.3700	2.7198	2.3884	2.1490	1.5232	3.2234	2.4000
H10	2.7245	2.4089	2.2009	4.1558	4.0309	3.3975	3.7957	4.2409	3.3700		1.7564	1.0867	2.4633	2.1982	2.7719	2.9081
H11	2.4179	3.0385	2.1751	3.3107	3.8903	2.9156	2.6479	3.7662	2.7198	1.7564		1.0874	3.0262	2.1313	2.8928	2.6093
C12	2.1875	2.1634	1.5349	3.1628	3.2432	2.4561	2.7584	3.3549	2.3884	1.0867	1.0874		2.1496	1.5272	2.6960	2.4682
H13	3.7919	2.8015	2.7396	3.8338	3.0338	2.8058	3.0128	2.4311	2.1490	2.4633	3.0262	2.1496		1.0919	2.2836	2.0476
C14	3.3396	2.8830	2.4054	3.2973	3.0261	2.4282	2.1209	2.1830	1.5232	2.1982	2.1313	1.5272	1.0919		1.9315	1.4010
H15	4.8637	4.4817	4.0749	5.1093	4.9483	4.3339	3.3984	3.6508	3.2234	2.7719	2.8928	2.6960	2.2836	1.9315		0.9402
O16	4.4898	4.2280	3.6841	4.3696	4.3169	3.6623	2.4990	2.8226	2.4000	2.9081	2.6093	2.4682	2.0476	1.4010	0.9402

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.766	H1	C3	C6	112.474
H1	C3	C12	112.138	H2	C3	C6	110.110
H2	C3	C12	110.084	C3	C6	H4	111.714
C3	C6	H5	110.455	C3	C6	C9	105.882
C3	C12	H10	113.069	C3	C12	H11	110.937
C3	C12	C14	103.540	H4	C6	H5	106.650
H4	C6	C9	111.127	H5	C6	C9	111.088
C6	C3	C12	105.309	C6	C9	H7	110.969
C6	C9	H8	113.331	C6	C9	C14	104.780
H7	C9	H8	107.472	H7	C9	C14	107.564
H8	C9	C14	112.622	C9	C14	C12	103.067
C9	C14	H13	109.420	C9	C14	O16	110.250
H10	C12	H11	107.771	H10	C12	C14	113.409
H11	C12	C14	108.022	C12	C14	H13	109.189
C12	C14	O16	114.829	H13	C14	O16	109.826
C14	O16	H15	109.606

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: HF/6-311G**

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	0.105
2	H	0.099
3	C	-0.207
4	H	0.104
5	H	0.101
6	C	-0.200
7	H	0.109
8	H	0.104
9	C	-0.185
10	H	0.091
11	H	0.103
12	C	-0.194
13	H	0.074
14	C	0.135
15	H	0.241
16	O	-0.480

	x	y	z	Total
	-0.617	1.222	0.910	1.644
CHELPG
AIM
ESP

	x	y	z
x	8.589	0.179	-0.025
y	0.179	8.252	0.068
z	-0.025	0.068	7.316

<r²>	165.178
(<r²>)^1/2	12.852

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)