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	hartrees
Energy at 0K	-196.547523
Energy at 298.15K
HF Energy	-196.547523
Nuclear repulsion energy	187.733500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3129	2993	101.41
2	A	3113	2977	22.51
3	A	3112	2977	28.08
4	A	3108	2973	14.85
5	A	3098	2964	38.30
6	A	3076	2943	54.60
7	A	3059	2926	27.69
8	A	3054	2921	33.00
9	A	3046	2914	40.08
10	A	3041	2909	20.00
11	A	1532	1465	0.25
12	A	1507	1441	5.12
13	A	1504	1439	5.42
14	A	1497	1431	5.81
15	A	1489	1424	0.37
16	A	1363	1304	0.26
17	A	1357	1298	0.35
18	A	1354	1295	0.03
19	A	1336	1277	0.94
20	A	1311	1254	0.03
21	A	1290	1234	0.93
22	A	1249	1195	0.21
23	A	1238	1184	0.24
24	A	1213	1160	0.25
25	A	1195	1143	0.00
26	A	1071	1025	0.03
27	A	1054	1008	0.00
28	A	1014	970	0.69
29	A	980	937	1.32
30	A	925	885	2.45
31	A	918	878	2.61
32	A	900	860	0.64
33	A	881	842	0.87
34	A	833	797	0.17
35	A	776	742	0.92
36	A	623	596	0.09
37	A	557	533	1.29
38	A	271	259	0.01
39	A	28i	27i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.069	-0.654	0.256
C2	-0.454	1.204	0.126
C3	-1.299	-0.092	0.015
C4	-0.284	-1.249	-0.155
C5	0.978	0.790	-0.243
H6	-0.472	1.577	1.155
H7	-0.834	2.006	-0.510
H8	-1.988	-0.049	-0.831
H9	-1.908	-0.233	0.911
H10	-0.240	-1.556	-1.205
H11	-0.553	-2.132	0.428
H12	1.919	-1.202	-0.157
H13	1.170	-0.662	1.348
H14	1.110	0.809	-1.330
H15	1.735	1.447	0.193

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4067	2.4455	1.5342	1.5303	2.8568	3.3596	3.3009	3.0772	2.1589	2.2013	1.0926	1.0960	2.1588	2.2050
C2	2.4067		1.5508	2.4751	1.5363	1.0941	1.0921	2.1997	2.1895	3.0721	3.3516	3.3919	2.7590	2.1737	2.2032
C3	2.4455	1.5508		1.5482	2.4550	2.1831	2.2123	1.0923	1.0925	2.1803	2.2112	3.4082	2.8623	2.9022	3.4057
C4	1.5342	2.4751	1.5482		2.3991	3.1203	3.3202	2.1911	2.1923	1.0945	1.0922	2.2035	2.1717	2.7493	3.3856
C5	1.5303	1.5363	2.4550	2.3991		2.1625	2.1988	3.1382	3.2720	2.8127	3.3663	2.2045	2.1617	1.0958	1.0925
H6	2.8568	1.0941	2.1831	3.1203	2.1625		1.7574	2.9805	2.3228	3.9290	3.7806	3.8940	2.7831	3.0445	2.4109
H7	3.3596	1.0921	2.2123	3.3202	2.1988	1.7574		2.3787	2.8615	3.6777	4.2528	4.2422	3.8191	2.4255	2.7208
H8	3.3009	2.1997	1.0923	2.1911	3.1382	2.9805	2.3787		1.7532	2.3388	2.8257	4.1293	3.8851	3.2533	4.1404
H9	3.0772	2.1895	1.0925	2.1923	3.2720	2.3228	2.8615	1.7532		3.0018	2.3827	4.0898	3.1380	3.9008	4.0749
H10	2.1589	3.0721	2.1803	1.0945	2.8127	3.9290	3.6777	2.3388	3.0018		1.7593	2.4253	3.0496	2.7260	3.8559
H11	2.2013	3.3516	2.2112	1.0922	3.3663	3.7806	4.2528	2.8257	2.3827	1.7593		2.7053	2.4446	3.8090	4.2544
H12	1.0926	3.3919	3.4082	2.2035	2.2045	3.8940	4.2422	4.1293	4.0898	2.4253	2.7053		1.7658	2.4650	2.6786
H13	1.0960	2.7590	2.8623	2.1717	2.1617	2.7831	3.8191	3.8851	3.1380	3.0496	2.4446	1.7658		3.0560	2.4700
H14	2.1588	2.1737	2.9022	2.7493	1.0958	3.0445	2.4255	3.2533	3.9008	2.7260	3.8090	2.4650	3.0560		1.7653
H15	2.2050	2.2032	3.4057	3.3856	1.0925	2.4109	2.7208	4.1404	4.0749	3.8559	4.2544	2.6786	2.4700	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.002	C1	C4	H10	109.284
C1	C4	H11	112.811	C1	C5	C2	103.401
C1	C5	H14	109.467	C1	C5	H15	113.373
C2	C3	C4	106.005	C2	C3	H8	111.484
C2	C3	H9	110.654	C2	C5	H14	110.224
C2	C5	H15	112.792	C3	C2	C5	105.354
C3	C2	H6	110.064	C3	C2	H7	112.509
C3	C4	H10	109.996	C3	C4	H11	112.598
C4	C1	C5	103.049	C4	C1	H12	112.968
C4	C1	H13	110.199	C4	C3	H8	110.980
C4	C3	H9	111.060	C5	C1	H12	113.330
C5	C1	H13	109.679	C5	C2	H6	109.449
C5	C2	H7	112.461	H6	C2	H7	107.009
H8	C3	H9	106.730	H10	C4	H11	107.137
H12	C1	H13	107.577	H14	C5	H15	107.547

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: wB97X-D/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	C	-0.246
2	C	-0.246
3	C	-0.243
4	C	-0.244
5	C	-0.243
6	H	0.123
7	H	0.124
8	H	0.124
9	H	0.124
10	H	0.121
11	H	0.123
12	H	0.123
13	H	0.119
14	H	0.119
15	H	0.123

	x	y	z	Total
	0.006	-0.013	0.002	0.015
CHELPG
AIM
ESP

	x	y	z
x	8.377	0.001	0.010
y	0.001	8.370	0.019
z	0.010	0.019	7.476

<r²>	115.390
(<r²>)^1/2	10.742

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)