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	hartrees
Energy at 0K	-194.407207
Energy at 298.15K	-194.418797
HF Energy	-194.407207
Nuclear repulsion energy	187.503430

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3077	3022	41.39
2	A	3062	3007	10.25
3	A	3062	3007	12.72
4	A	3057	3002	6.59
5	A	3047	2992	16.38
6	A	3017	2962	27.32
7	A	3001	2947	13.29
8	A	2996	2942	19.78
9	A	2990	2936	20.21
10	A	2983	2929	9.82
11	A	1506	1479	1.35
12	A	1483	1456	16.66
13	A	1478	1451	8.74
14	A	1472	1446	12.32
15	A	1468	1442	3.80
16	A	1324	1300	0.90
17	A	1320	1296	0.16
18	A	1318	1295	2.67
19	A	1306	1282	5.09
20	A	1295	1272	0.00
21	A	1274	1251	2.41
22	A	1236	1214	0.05
23	A	1205	1183	0.41
24	A	1185	1164	0.45
25	A	1148	1127	0.02
26	A	1058	1039	0.10
27	A	1049	1030	0.00
28	A	1000	982	1.33
29	A	967	949	2.54
30	A	923	906	2.56
31	A	907	891	3.74
32	A	895	879	2.27
33	A	872	856	1.83
34	A	823	808	0.74
35	A	760	747	2.70
36	A	610	599	0.46
37	A	542	532	2.91
38	A	291	285	0.00
39	A	31	30	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.190	0.385	-0.258
C2	-0.699	-1.065	-0.175
C3	-1.248	0.370	0.024
C4	0.005	1.285	0.126
C5	0.762	-0.982	0.282
H6	-0.718	-1.325	-1.250
H7	-1.283	-1.824	0.373
H8	-1.846	0.435	0.949
H9	-1.899	0.665	-0.816
H10	0.135	1.622	1.171
H11	-0.072	2.181	-0.513
H12	2.151	0.742	0.150
H13	1.276	0.325	-1.361
H14	0.810	-0.968	1.389
H15	1.380	-1.817	-0.089

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.3823	2.4539	1.5368	1.5306	2.7474	3.3751	3.2679	3.1516	2.1652	2.2098	1.1033	1.1078	2.1652	2.2163
C2	2.3823		1.5492	2.4715	1.5325	1.1067	1.1032	2.1973	2.2009	3.1189	3.3231	3.3894	2.6900	2.1747	2.2125
C3	2.4539	1.5492		1.5549	2.4357	2.1857	2.2217	1.1038	1.1033	2.1900	2.2249	3.4210	2.8789	2.8083	3.4208
C4	1.5368	2.4715	1.5549		2.3949	3.0382	3.3742	2.1974	2.2138	1.1057	1.1031	2.2134	2.1792	2.7052	3.3998
C5	1.5306	1.5325	2.4357	2.3949		2.1577	2.2133	3.0420	3.3164	2.8222	3.3660	2.2172	2.1611	1.1080	1.1034
H6	2.7474	1.1067	2.1857	3.0382	2.1577		1.7893	3.0341	2.3541	3.9087	3.6407	3.8029	2.5901	3.0702	2.4481
H7	3.3751	1.1032	2.2217	3.3742	2.2133	1.7893		2.3979	2.8258	3.8110	4.2766	4.2919	3.7641	2.4787	2.7031
H8	3.2679	2.1973	1.1038	2.1974	3.0420	3.0341	2.3979		1.7811	2.3207	2.8871	4.0877	3.8854	3.0357	4.0691
H9	3.1516	2.2009	1.1033	2.2138	3.3164	2.3541	2.8258	1.7811		3.0011	2.3942	4.1645	3.2393	3.8557	4.1763
H10	2.1652	3.1189	2.1900	1.1057	2.8222	3.9087	3.8110	2.3207	3.0011		1.7862	2.4253	3.0657	2.6856	3.8687
H11	2.2098	3.3231	2.2249	1.1031	3.3660	3.6407	4.2766	2.8871	2.3942	1.7862		2.7297	2.4459	3.7828	4.2744
H12	1.1033	3.3894	3.4210	2.2134	2.2172	3.8029	4.2919	4.0877	4.1645	2.4253	2.7297		1.7954	2.5011	2.6825
H13	1.1078	2.6900	2.8789	2.1792	2.1611	2.5901	3.7641	3.8854	3.2393	3.0657	2.4459	1.7954		3.0742	2.4929
H14	2.1652	2.1747	2.8083	2.7052	1.1080	3.0702	2.4787	3.0357	3.8557	2.6856	3.7828	2.5011	3.0742		1.7973
H15	2.2163	2.2125	3.4208	3.3998	1.1034	2.4481	2.7031	4.0691	4.1763	3.8687	4.2744	2.6825	2.4929	1.7973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.068	C1	C4	H10	108.945
C1	C4	H11	112.627	C1	C5	C2	102.108
C1	C5	H14	109.241	C1	C5	H15	113.592
C2	C3	C4	105.542	C2	C3	H8	110.718
C2	C3	H9	111.030	C2	C5	H14	109.845
C2	C5	H15	113.137	C3	C2	C5	104.438
C3	C2	H6	109.641	C3	C2	H7	112.700
C3	C4	H10	109.646	C3	C4	H11	112.559
C4	C1	C5	102.657	C4	C1	H12	112.911
C4	C1	H13	109.916	C4	C3	H8	110.332
C4	C3	H9	111.653	C5	C1	H12	113.674
C5	C1	H13	108.936	C5	C2	H6	108.605
C5	C2	H7	113.219	H6	C2	H7	108.128
H8	C3	H9	107.603	H10	C4	H11	107.929
H12	C1	H13	108.583	H14	C5	H15	108.732

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: LSDA/3-21G*

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	-0.421
2	C	-0.420
3	C	-0.419
4	C	-0.420
5	C	-0.422
6	H	0.212
7	H	0.208
8	H	0.213
9	H	0.212
10	H	0.213
11	H	0.209
12	H	0.207
13	H	0.210
14	H	0.210
15	H	0.207

	x	y	z	Total
	-0.006	0.003	0.003	0.007
CHELPG
AIM
ESP

	x	y	z
x	7.368	0.005	-0.000
y	0.005	7.369	0.006
z	-0.000	0.006	6.833

<r²>	114.943
(<r²>)^1/2	10.721

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)