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	hartrees
Energy at 0K	-271.689683
Energy at 298.15K	-271.701755
Nuclear repulsion energy	254.046929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3815	3681	24.21
2	A	3125	3016	58.63
3	A	3112	3003	15.80
4	A	3099	2990	11.22
5	A	3094	2986	36.56
6	A	3070	2963	34.77
7	A	3058	2951	31.58
8	A	3047	2941	23.70
9	A	3040	2933	31.27
10	A	2957	2854	57.09
11	A	1492	1440	3.63
12	A	1465	1413	5.86
13	A	1463	1412	2.57
14	A	1452	1401	0.81
15	A	1424	1374	3.13
16	A	1370	1322	36.48
17	A	1330	1283	0.45
18	A	1316	1270	2.39
19	A	1305	1260	9.10
20	A	1284	1239	12.04
21	A	1262	1217	2.19
22	A	1258	1214	16.04
23	A	1201	1159	19.47
24	A	1195	1153	2.27
25	A	1181	1140	1.37
26	A	1125	1086	59.99
27	A	1087	1049	29.10
28	A	1059	1022	6.14
29	A	987	953	0.46
30	A	971	937	9.17
31	A	954	920	2.39
32	A	908	876	0.09
33	A	892	861	0.05
34	A	817	789	1.78
35	A	766	739	1.35
36	A	615	594	0.78
37	A	541	522	4.93
38	A	469	452	6.55
39	A	362	349	14.45
40	A	298	288	100.93
41	A	190	184	0.74
42	A	34	33	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	2.203	-1.309	-0.513
H2	1.691	-1.045	1.157
C3	1.462	-0.785	0.109
H4	1.969	1.023	-1.034
H5	2.095	1.235	0.710
C6	1.496	0.753	-0.077
H7	-0.324	1.507	-1.056
H8	-0.159	2.070	0.614
C9	0.020	1.213	-0.051
H10	-0.267	-2.164	0.197
H11	-0.147	-1.212	-1.306
C12	0.021	-1.182	-0.215
H13	-0.803	-0.102	1.465
C14	-0.793	-0.018	0.357
H15	-2.604	-0.677	0.157
O16	-2.112	0.099	-0.141

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7667	1.1004	2.4012	2.8253	2.2229	3.8227	4.2744	3.3672	2.7081	2.4822	2.2057	3.7958	3.3765	4.8946	4.5542
H2	1.7667		1.1034	3.0253	2.3578	2.1888	3.9332	3.6635	3.0574	2.4512	3.0778	2.1654	2.6844	2.8046	4.4256	4.1783
C3	1.1004	1.1034		2.1985	2.2007	1.5494	3.1311	3.3222	2.4692	2.2130	2.1851	1.5293	2.7271	2.3950	4.0681	3.6905
H4	2.4012	3.0253	2.1985		1.7616	1.1010	2.3432	2.8874	2.1903	4.0825	3.0897	3.0540	3.8979	3.2625	5.0216	4.2778
H5	2.8253	2.3578	2.2007	1.7616		1.1007	3.0072	2.4052	2.2096	4.1703	3.8831	3.3163	3.2796	3.1675	5.1028	4.4395
C6	2.2229	2.1888	1.5494	1.1010	1.1007		2.1998	2.2252	1.5457	3.4185	2.8404	2.4365	2.8973	2.4536	4.3481	3.6668
H7	3.8227	3.9332	3.1311	2.3432	3.0072	2.1998		1.7698	1.1023	3.8793	2.7364	2.8392	3.0290	2.1312	3.3822	2.4526
H8	4.2744	3.6635	3.3222	2.8874	2.4052	2.2252	1.7698		1.0998	4.2560	3.8024	3.3614	2.4208	2.1976	3.7060	2.8755
C9	3.3672	3.0574	2.4692	2.1903	2.2096	1.5457	1.1023	1.0998		3.3978	2.7353	2.4008	2.1693	1.5306	3.2406	2.4071
H10	2.7081	2.4512	2.2130	4.0825	4.1703	3.4185	3.8793	4.2560	3.3978		1.7825	1.1024	2.4791	2.2152	2.7706	2.9395
H11	2.4822	3.0778	2.1851	3.0897	3.8831	2.8404	2.7364	3.8024	2.7353	1.7825		1.1044	3.0557	2.1462	2.9088	2.6335
C12	2.2057	2.1654	1.5293	3.0540	3.3163	2.4365	2.8392	3.3614	2.4008	1.1024	1.1044		2.1604	1.5315	2.6994	2.4898
H13	3.7958	2.6844	2.7271	3.8979	3.2796	2.8973	3.0290	2.4208	2.1693	2.4791	3.0557	2.1604		1.1112	2.2986	2.0813
C14	3.3765	2.8046	2.3950	3.2625	3.1675	2.4536	2.1312	2.1976	1.5306	2.2152	2.1462	1.5315	1.1112		1.9375	1.4146
H15	4.8946	4.4256	4.0681	5.0216	5.1028	4.3481	3.3822	3.7060	3.2406	2.7706	2.9088	2.6994	2.2986	1.9375		0.9661
O16	4.5542	4.1783	3.6905	4.2778	4.4395	3.6668	2.4526	2.8755	2.4071	2.9395	2.6335	2.4898	2.0813	1.4146	0.9661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.585	H1	C3	C6	112.952
H1	C3	C12	113.008	H2	C3	C6	110.064
H2	C3	C12	109.613	C3	C6	H4	110.964
C3	C6	H5	111.151	C3	C6	C9	105.836
C3	C12	H10	113.478	C3	C12	H11	111.105
C3	C12	C14	102.975	H4	C6	H5	106.281
H4	C6	C9	110.569	H5	C6	C9	112.126
C6	C3	C12	104.635	C6	C9	H7	111.245
C6	C9	H8	113.450	C6	C9	C14	105.799
H7	C9	H8	106.971	H7	C9	C14	106.960
H8	C9	C14	112.291	C9	C14	C12	103.260
C9	C14	H13	109.369	C9	C14	O16	109.567
H10	C12	H11	107.749	H10	C12	C14	113.493
H11	C12	C14	107.924	C12	C14	H13	108.620
C12	C14	O16	115.311	H13	C14	O16	110.400
C14	O16	H15	107.446

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: B3PW91/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	0.029
2	H	0.035
3	C	-0.069
4	H	0.037
5	H	0.031
6	C	-0.060
7	H	0.041
8	H	0.031
9	C	-0.018
10	H	0.019
11	H	0.036
12	C	-0.038
13	H	0.009
14	C	0.041
15	H	0.144
16	O	-0.267

	x	y	z	Total
	0.402	-1.136	0.742	1.415
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>	165.731
(<r²>)^1/2	12.874

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)