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	hartrees
Energy at 0K	-270.056666
Energy at 298.15K	-270.069086
Nuclear repulsion energy	254.786633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4175	3802	52.68
2	A	3250	2959	128.07
3	A	3235	2946	22.63
4	A	3220	2932	10.54
5	A	3212	2925	65.74
6	A	3202	2916	39.83
7	A	3188	2903	51.32
8	A	3178	2894	35.80
9	A	3171	2887	33.94
10	A	3129	2849	48.48
11	A	1635	1489	3.17
12	A	1608	1465	4.48
13	A	1605	1462	2.72
14	A	1591	1449	0.48
15	A	1549	1410	6.80
16	A	1500	1366	35.91
17	A	1452	1322	0.11
18	A	1442	1313	0.26
19	A	1427	1300	11.21
20	A	1406	1280	5.14
21	A	1375	1252	27.25
22	A	1362	1241	0.66
23	A	1316	1199	29.75
24	A	1297	1181	0.26
25	A	1279	1165	9.51
26	A	1202	1095	87.52
27	A	1165	1061	18.10
28	A	1120	1020	2.26
29	A	1053	959	0.87
30	A	1040	947	2.92
31	A	1015	925	5.18
32	A	957	872	0.09
33	A	936	852	0.13
34	A	875	797	0.91
35	A	817	744	1.04
36	A	670	610	0.26
37	A	577	525	6.87
38	A	502	457	6.93
39	A	386	351	12.53
40	A	293	267	119.69
41	A	196	178	1.23
42	A	45	41	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.160	1.267	-0.616
H2	-1.749	1.117	1.079
C3	-1.465	0.794	0.077
H4	-2.065	-1.095	-0.879
H5	-1.982	-1.183	0.864
C6	-1.497	-0.757	-0.014
H7	0.252	-1.417	-1.147
H8	0.195	-2.100	0.471
C9	-0.023	-1.207	-0.113
H10	0.275	2.139	0.243
H11	0.178	1.250	-1.279
C12	-0.007	1.185	-0.205
H13	0.785	0.047	1.442
C14	0.786	0.002	0.347
H15	2.621	0.628	0.209
O16	2.110	-0.094	-0.117

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7505	1.0888	2.3790	2.8676	2.2135	3.6474	4.2499	3.3078	2.7247	2.4302	2.1927	3.7938	3.3476	4.8929	4.5093
H2	1.7505		1.0908	2.9716	2.3211	2.1845	3.9220	3.8074	3.1310	2.4171	3.0489	2.1655	2.7748	2.8652	4.4828	4.2185
C3	1.0888	1.0908		2.2014	2.1899	1.5549	3.0556	3.3597	2.4744	2.2052	2.1787	1.5353	2.7358	2.4020	4.0913	3.6892
H4	2.3790	2.9716	2.2014		1.7479	1.0889	2.3549	2.8182	2.1847	4.1472	3.2706	3.1451	3.8492	3.2923	5.1102	4.3613
H5	2.8676	2.3211	2.1899	1.7479		1.0895	3.0148	2.3942	2.1891	4.0636	3.8960	3.2631	3.0820	3.0547	4.9890	4.3466
C6	2.2135	2.1845	1.5549	1.0889	1.0895		2.1859	2.2138	1.5446	3.4055	2.9050	2.4556	2.8239	2.4333	4.3506	3.6696
H7	3.6474	3.9220	3.0556	2.3549	3.0148	2.1859		1.7573	1.0904	3.8185	2.6719	2.7795	3.0212	2.1282	3.4104	2.5029
H8	4.2499	3.8074	3.3597	2.8182	2.3942	2.2138	1.7573		1.0887	4.2461	3.7801	3.3599	2.4284	2.1866	3.6600	2.8354
C9	3.3078	3.1310	2.4744	2.1847	2.1891	1.5446	1.0904	1.0887		3.3786	2.7278	2.3941	2.1543	1.5254	3.2342	2.4062
H10	2.7247	2.4171	2.2052	4.1472	4.0636	3.4055	3.8185	4.2461	3.3786		1.7652	1.0913	2.4652	2.2006	2.7909	2.9132
H11	2.4302	3.0489	2.1787	3.2706	3.8960	2.9050	2.6719	3.7801	2.7278	1.7652		1.0919	3.0365	2.1385	2.9269	2.6249
C12	2.1927	2.1655	1.5353	3.1451	3.2631	2.4556	2.7795	3.3599	2.3941	1.0913	1.0919		2.1530	1.5281	2.7181	2.4755
H13	3.7938	2.7748	2.7358	3.8492	3.0820	2.8239	3.0212	2.4284	2.1543	2.4652	3.0365	2.1530		1.0958	2.2867	2.0511
C14	3.3476	2.8652	2.4020	3.2923	3.0547	2.4333	2.1282	2.1866	1.5254	2.2006	2.1385	1.5281	1.0958		1.9435	1.4064
H15	4.8929	4.4828	4.0913	5.1102	4.9890	4.3506	3.4104	3.6600	3.2342	2.7909	2.9269	2.7181	2.2867	1.9435		0.9423
O16	4.5093	4.2185	3.6892	4.3613	4.3466	3.6696	2.5029	2.8354	2.4062	2.9132	2.6249	2.4755	2.0511	1.4064	0.9423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.860	H1	C3	C6	112.508
H1	C3	C12	112.239	H2	C3	C6	110.079
H2	C3	C12	109.944	C3	C6	H4	111.531
C3	C6	H5	110.580	C3	C6	C9	105.935
C3	C12	H10	113.108	C3	C12	H11	110.924
C3	C12	C14	103.276	H4	C6	H5	106.715
H4	C6	C9	110.919	H5	C6	C9	111.236
C6	C3	C12	105.242	C6	C9	H7	110.925
C6	C9	H8	113.283	C6	C9	C14	104.851
H7	C9	H8	107.495	H7	C9	C14	107.734
H8	C9	C14	112.460	C9	C14	C12	103.270
C9	C14	H13	109.451	C9	C14	O16	110.251
H10	C12	H11	107.914	H10	C12	C14	113.257
H11	C12	C14	108.266	C12	C14	H13	109.173
C12	C14	O16	114.980	H13	C14	O16	109.488
C14	O16	H15	110.113

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: HF/aug-cc-pVDZ

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	-0.156
2	H	-0.173
3	C	0.306
4	H	-0.130
5	H	-0.132
6	C	0.427
7	H	-0.119
8	H	-0.124
9	C	0.186
10	H	-0.136
11	H	-0.118
12	C	0.319
13	H	-0.215
14	C	0.742
15	H	0.095
16	O	-0.773

	x	y	z	Total
	-0.716	1.178	0.901	1.647
CHELPG
AIM
ESP

	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>	165.890
(<r²>)^1/2	12.880

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)