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	hartrees
Energy at 0K	-270.038389
Energy at 298.15K	-270.050806
Nuclear repulsion energy	255.025047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4149	3767	52.60
2	A	3257	2958	109.61
3	A	3243	2945	20.94
4	A	3227	2930	7.92
5	A	3220	2924	61.17
6	A	3209	2913	40.33
7	A	3194	2900	52.23
8	A	3184	2891	34.08
9	A	3176	2883	33.14
10	A	3122	2835	60.84
11	A	1628	1478	3.90
12	A	1600	1453	5.05
13	A	1598	1451	3.14
14	A	1582	1437	0.35
15	A	1555	1412	5.40
16	A	1504	1366	44.40
17	A	1454	1320	0.13
18	A	1444	1311	0.17
19	A	1428	1297	13.66
20	A	1407	1277	8.12
21	A	1376	1249	31.95
22	A	1362	1237	0.35
23	A	1318	1197	31.81
24	A	1296	1177	0.38
25	A	1280	1162	8.93
26	A	1216	1105	78.76
27	A	1166	1059	18.84
28	A	1121	1018	1.72
29	A	1054	957	0.99
30	A	1039	944	2.78
31	A	1016	923	5.70
32	A	958	870	0.08
33	A	937	851	0.24
34	A	877	796	1.20
35	A	814	739	1.35
36	A	670	608	0.40
37	A	579	525	6.48
38	A	505	459	7.88
39	A	386	350	14.24
40	A	313	285	120.41
41	A	198	180	0.84
42	A	34	31	0.15

Atom	x (Å)	y (Å)	z (Å)
H1	-2.164	1.277	-0.599
H2	-1.737	1.108	1.091
C3	-1.461	0.794	0.081
H4	-2.054	-1.086	-0.901
H5	-1.999	-1.188	0.844
C6	-1.496	-0.755	-0.023
H7	0.265	-1.424	-1.136
H8	0.190	-2.098	0.486
C9	-0.022	-1.206	-0.104
H10	0.277	2.143	0.230
H11	0.179	1.238	-1.284
C12	-0.007	1.182	-0.207
H13	0.784	0.054	1.447
C14	0.789	0.003	0.350
H15	2.605	0.641	0.196
O16	2.105	-0.096	-0.119

	H1	H2	C3	H4	H5	C6	H7	H8	C9	H10	H11	C12	H13	C14	H15	O16
H1		1.7514	1.0907	2.3842	2.8613	2.2154	3.6712	4.2558	3.3162	2.7190	2.4405	2.1946	3.7914	3.3529	4.8766	4.5096
H2	1.7514		1.0930	2.9799	2.3246	2.1844	3.9209	3.7897	3.1183	2.4223	3.0535	2.1640	2.7558	2.8550	4.4579	4.2040
C3	1.0907	1.0930		2.2015	2.1907	1.5530	3.0620	3.3550	2.4708	2.2054	2.1791	1.5328	2.7307	2.4002	4.0711	3.6810
H4	2.3842	2.9799	2.2015		1.7483	1.0910	2.3545	2.8256	2.1854	4.1392	3.2447	3.1325	3.8556	3.2905	5.0884	4.3455
H5	2.8613	2.3246	2.1907	1.7483		1.0915	3.0157	2.3975	2.1920	4.0809	3.8926	3.2693	3.1069	3.0713	4.9962	4.3544
C6	2.2154	2.1844	1.5530	1.0910	1.0915		2.1872	2.2151	1.5434	3.4070	2.8924	2.4503	2.8314	2.4360	4.3382	3.6621
H7	3.6712	3.9209	3.0620	2.3545	3.0157	2.1872		1.7577	1.0925	3.8192	2.6671	2.7793	3.0206	2.1249	3.3937	2.4865
H8	4.2558	3.7897	3.3550	2.8256	2.3975	2.2151	1.7577		1.0905	4.2502	3.7764	3.3581	2.4309	2.1888	3.6634	2.8358
C9	3.3162	3.1183	2.4708	2.1854	2.1920	1.5434	1.0925	1.0905		3.3792	2.7212	2.3901	2.1552	1.5248	3.2260	2.3995
H10	2.7190	2.4223	2.2054	4.1392	4.0809	3.4070	3.8192	4.2502	3.3792		1.7659	1.0931	2.4709	2.2042	2.7712	2.9117
H11	2.4405	3.0535	2.1791	3.2447	3.8926	2.8924	2.6671	3.7764	2.7212	1.7659		1.0942	3.0373	2.1367	2.9044	2.6163
C12	2.1946	2.1640	1.5328	3.1325	3.2693	2.4503	2.7793	3.3581	2.3901	1.0931	1.0942		2.1523	1.5271	2.6975	2.4695
H13	3.7914	2.7558	2.7307	3.8556	3.1069	2.8314	3.0206	2.4309	2.1552	2.4709	3.0373	2.1523		1.0988	2.2858	2.0544
C14	3.3529	2.8550	2.4002	3.2905	3.0713	2.4360	2.1249	2.1888	1.5248	2.2042	2.1367	1.5271	1.0988		1.9315	1.4006
H15	4.8766	4.4579	4.0711	5.0884	4.9962	4.3382	3.3937	3.6634	3.2260	2.7712	2.9044	2.6975	2.2858	1.9315		0.9452
O16	4.5096	4.2040	3.6810	4.3455	4.3544	3.6621	2.4865	2.8358	2.3995	2.9117	2.6163	2.4695	2.0544	1.4006	0.9452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	106.651	H1	C3	C6	112.685
H1	C3	C12	112.460	H2	C3	C6	110.074
H2	C3	C12	109.867	C3	C6	H4	111.551
C3	C6	H5	110.659	C3	C6	C9	105.875
C3	C12	H10	113.185	C3	C12	H11	110.999
C3	C12	C14	103.334	H4	C6	H5	106.463
H4	C6	C9	110.942	H5	C6	C9	111.437
C6	C3	C12	105.135	C6	C9	H7	111.001
C6	C9	H8	113.377	C6	C9	C14	105.116
H7	C9	H8	107.255	H7	C9	C14	107.408
H8	C9	C14	112.580	C9	C14	C12	103.098
C9	C14	H13	109.391	C9	C14	O16	110.145
H10	C12	H11	107.672	H10	C12	C14	113.502
H11	C12	C14	108.058	C12	C14	H13	109.006
C12	C14	O16	114.949	H13	C14	O16	109.977
C14	O16	H15	109.307

All results from a given calculation for C₅H₁₀O (Cyclopentanol)

using model chemistry: HF/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	CHELPG
1	H	0.029	-0.024
2	H	0.028	-0.032
3	C	-0.061	0.113
4	H	0.032	0.005
5	H	0.029	0.001
6	C	-0.053	-0.066
7	H	0.037	0.020
8	H	0.028	-0.016
9	C	-0.014	0.023
10	H	0.016	-0.006
11	H	0.031	0.026
12	C	-0.036	-0.127
13	H	0.002	-0.074
14	C	0.144	0.483
15	H	0.149	0.409
16	O	-0.361	-0.734

	x	y	z	Total
	-0.540	1.191	0.861	1.565
CHELPG
AIM
ESP

	x	y	z
x	8.451	0.188	-0.019
y	0.188	8.125	0.075
z	-0.019	0.075	7.247

<r²>	165.360
(<r²>)^1/2	12.859

All results from a given calculation for C5H10O (Cyclopentanol)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₁₀O (Cyclopentanol)