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	hartrees
Energy at 0K	-196.562317
Energy at 298.15K
HF Energy	-196.562317
Nuclear repulsion energy	187.927405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3138	2997	96.81
2	A	3123	2982	27.36
3	A	3121	2981	29.74
4	A	3117	2977	5.18
5	A	3105	2966	35.32
6	A	3086	2947	53.08
7	A	3071	2933	26.43
8	A	3061	2924	37.87
9	A	3059	2921	29.96
10	A	3053	2916	20.88
11	A	1534	1465	0.14
12	A	1508	1440	4.87
13	A	1505	1438	4.91
14	A	1501	1434	6.01
15	A	1491	1424	0.07
16	A	1363	1301	0.55
17	A	1360	1299	0.64
18	A	1353	1292	0.10
19	A	1336	1276	0.77
20	A	1316	1256	0.01
21	A	1292	1234	0.82
22	A	1250	1193	0.20
23	A	1243	1187	0.30
24	A	1218	1163	0.33
25	A	1193	1140	0.00
26	A	1071	1023	0.03
27	A	1055	1007	0.00
28	A	1018	972	0.62
29	A	980	936	1.60
30	A	925	883	2.49
31	A	918	876	2.67
32	A	901	860	0.77
33	A	881	841	0.79
34	A	833	796	0.16
35	A	774	739	0.87
36	A	625	597	0.08
37	A	557	532	1.08
38	A	264	252	0.02
39	A	60i	57i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.064	-0.659	0.256
C2	-0.447	1.205	0.126
C3	-1.298	-0.085	0.015
C4	-0.290	-1.246	-0.155
C5	0.981	0.783	-0.242
H6	-0.464	1.578	1.153
H7	-0.822	2.008	-0.511
H8	-1.986	-0.038	-0.830
H9	-1.907	-0.222	0.910
H10	-0.248	-1.553	-1.203
H11	-0.564	-2.126	0.428
H12	1.910	-1.211	-0.159
H13	1.166	-0.668	1.345
H14	1.114	0.803	-1.328
H15	1.740	1.436	0.194

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4041	2.4426	1.5323	1.5285	2.8541	3.3554	3.2967	3.0734	2.1562	2.1984	1.0911	1.0944	2.1562	2.2020
C2	2.4041		1.5490	2.4723	1.5345	1.0925	1.0906	2.1970	2.1867	3.0687	3.3474	3.3876	2.7568	2.1712	2.2001
C3	2.4426	1.5490		1.5464	2.4522	2.1805	2.2095	1.0908	1.0910	2.1776	2.2083	3.4037	2.8597	2.8997	3.4011
C4	1.5323	2.4723	1.5464		2.3965	3.1169	3.3159	2.1883	2.1895	1.0929	1.0908	2.2005	2.1691	2.7471	3.3813
C5	1.5285	1.5345	2.4522	2.3965		2.1599	2.1960	3.1345	3.2678	2.8099	3.3621	2.2015	2.1591	1.0942	1.0911
H6	2.8541	1.0925	2.1805	3.1169	2.1599		1.7552	2.9765	2.3199	3.9246	3.7761	3.8899	2.7818	3.0405	2.4071
H7	3.3554	1.0906	2.2095	3.3159	2.1960	1.7552		2.3755	2.8580	3.6729	4.2472	4.2362	3.8154	2.4221	2.7175
H8	3.2967	2.1970	1.0908	2.1883	3.1345	2.9765	2.3755		1.7510	2.3358	2.8221	4.1234	3.8809	3.2506	4.1352
H9	3.0734	2.1867	1.0910	2.1895	3.2678	2.3199	2.8580	1.7510		2.9979	2.3793	4.0846	3.1350	3.8967	4.0689
H10	2.1562	3.0687	2.1776	1.0929	2.8099	3.9246	3.6729	2.3358	2.9979		1.7571	2.4216	3.0456	2.7247	3.8518
H11	2.1984	3.3474	2.2083	1.0908	3.3621	3.7761	4.2472	2.8221	2.3793	1.7571		2.7020	2.4412	3.8053	4.2483
H12	1.0911	3.3876	3.4037	2.2005	2.2015	3.8899	4.2362	4.1234	4.0846	2.4216	2.7020		1.7634	2.4610	2.6753
H13	1.0944	2.7568	2.8597	2.1691	2.1591	2.7818	3.8154	3.8809	3.1350	3.0456	2.4412	1.7634		3.0519	2.4660
H14	2.1562	2.1712	2.8997	2.7471	1.0942	3.0405	2.4221	3.2506	3.8967	2.7247	3.8053	2.4610	3.0519		1.7629
H15	2.2020	2.2001	3.4011	3.3813	1.0911	2.4071	2.7175	4.1352	4.0689	3.8518	4.2483	2.6753	2.4660	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.005	C1	C4	H10	109.293
C1	C4	H11	112.796	C1	C5	C2	103.416
C1	C5	H14	109.479	C1	C5	H15	113.347
C2	C3	C4	106.010	C2	C3	H8	111.478
C2	C3	H9	110.647	C2	C5	H14	110.249
C2	C5	H15	112.761	C3	C2	C5	105.356
C3	C2	H6	110.070	C3	C2	H7	112.497
C3	C4	H10	110.004	C3	C4	H11	112.582
C4	C1	C5	103.062	C4	C1	H12	112.942
C4	C1	H13	110.223	C4	C3	H8	110.971
C4	C3	H9	111.057	C5	C1	H12	113.303
C5	C1	H13	109.693	C5	C2	H6	109.455
C5	C2	H7	112.446	H6	C2	H7	107.021
H8	C3	H9	106.748	H10	C4	H11	107.149
H12	C1	H13	107.582	H14	C5	H15	107.555

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: wB97X-D/TZVP

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	C	-0.240
2	C	-0.263
3	C	-0.261
4	C	-0.259
5	C	-0.244
6	H	0.126
7	H	0.128
8	H	0.125
9	H	0.126
10	H	0.124
11	H	0.131
12	H	0.134
13	H	0.119
14	H	0.120
15	H	0.133

	x	y	z	Total
	0.013	-0.002	0.001	0.013
CHELPG
AIM
ESP

	x	y	z
x	8.679	-0.002	-0.008
y	-0.002	8.664	0.024
z	-0.008	0.024	7.713

<r²>	115.184
(<r²>)^1/2	10.732

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)