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	hartrees
Energy at 0K	-196.439612
Energy at 298.15K
HF Energy	-196.439612
Nuclear repulsion energy	185.343229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3023	3007	125.67
2	A	3009	2993	21.11
3	A	3006	2990	34.80
4	A	3002	2986	17.64
5	A	2993	2977	45.77
6	A	2977	2961	68.26
7	A	2961	2946	35.12
8	A	2960	2944	27.02
9	A	2952	2936	46.36
10	A	2947	2931	24.88
11	A	1488	1480	0.05
12	A	1463	1455	2.41
13	A	1462	1454	2.33
14	A	1459	1451	3.44
15	A	1452	1444	0.09
16	A	1308	1301	0.37
17	A	1305	1298	0.45
18	A	1299	1292	0.04
19	A	1281	1274	0.48
20	A	1266	1259	0.01
21	A	1242	1235	0.78
22	A	1199	1193	0.19
23	A	1186	1180	0.39
24	A	1168	1162	0.22
25	A	1136	1130	0.00
26	A	1007	1002	0.02
27	A	1003	997	0.00
28	A	974	969	0.54
29	A	945	940	0.96
30	A	874	870	2.06
31	A	867	862	2.26
32	A	846	842	0.56
33	A	838	834	0.71
34	A	797	792	0.07
35	A	749	745	0.77
36	A	601	598	0.09
37	A	538	535	1.01
38	A	254	253	0.01
39	A	28i	28i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.038	-0.736	0.252
C2	-0.380	1.250	0.121
C3	-1.321	-0.006	0.019
C4	-0.373	-1.244	-0.156
C5	1.045	0.734	-0.235
H6	-0.386	1.645	1.151
H7	-0.704	2.073	-0.537
H8	-2.020	0.078	-0.829
H9	-1.938	-0.105	0.927
H10	-0.356	-1.560	-1.214
H11	-0.700	-2.115	0.434
H12	1.853	-1.341	-0.178
H13	1.150	-0.767	1.352
H14	1.197	0.760	-1.330
H15	1.846	1.341	0.220

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4442	2.4798	1.5535	1.5491	2.9164	3.3986	3.3437	3.1163	2.1843	2.2261	1.1028	1.1057	2.1832	2.2293
C2	2.4442		1.5724	2.5093	1.5572	1.1039	1.1022	2.2277	2.2168	3.1112	3.3950	3.4341	2.8155	2.1979	2.2299
C3	2.4798	1.5724		1.5690	2.4920	2.2096	2.2387	1.1023	1.1025	2.2060	2.2373	3.4487	2.9088	2.9567	3.4468
C4	1.5535	2.5093	1.5690		2.4350	3.1711	3.3553	2.2167	2.2185	1.1043	1.1023	2.2277	2.1956	2.8026	3.4271
C5	1.5491	1.5572	2.4920	2.4350		2.1908	2.2238	3.1901	3.3100	2.8612	3.4079	2.2280	2.1867	1.1055	1.1028
H6	2.9164	1.1039	2.2096	3.1711	2.1908		1.7708	3.0078	2.3503	3.9837	3.8409	3.9622	2.8665	3.0731	2.4368
H7	3.3986	1.1022	2.2387	3.3553	2.2238	1.7708		2.4072	2.9000	3.7123	4.2994	4.2811	3.8824	2.4428	2.7588
H8	3.3437	2.2277	1.1023	2.2167	3.1901	3.0078	2.4072		1.7673	2.3665	2.8544	4.1756	3.9395	3.3256	4.1995
H9	3.1163	2.2168	1.1025	2.2185	3.3100	2.3503	2.9000	1.7673		3.0340	2.4117	4.1382	3.1874	3.9583	4.1121
H10	2.1843	3.1112	2.2060	1.1043	2.8612	3.9837	3.7123	2.3665	3.0340		1.7730	2.4494	3.0793	2.7940	3.9144
H11	2.2261	3.3950	2.2373	1.1023	3.4079	3.8409	4.2994	2.8544	2.4117	1.7730		2.7373	2.4668	3.8698	4.2981
H12	1.1028	3.4341	3.4487	2.2277	2.2280	3.9622	4.2811	4.1756	4.1382	2.4494	2.7373		1.7791	2.4843	2.7122
H13	1.1057	2.8155	2.9088	2.1956	2.1867	2.8665	3.8824	3.9395	3.1874	3.0793	2.4668	1.7791		3.0860	2.4915
H14	2.1832	2.1979	2.9567	2.8026	1.1055	3.0731	2.4428	3.3256	3.9583	2.7940	3.8698	2.4843	3.0860		1.7782
H15	2.2293	2.2299	3.4468	3.4271	1.1028	2.4368	2.7588	4.1995	4.1121	3.9144	4.2981	2.7122	2.4915	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.152	C1	C4	H10	109.377
C1	C4	H11	112.795	C1	C5	C2	103.783
C1	C5	H14	109.519	C1	C5	H15	113.343
C2	C3	C4	106.029	C2	C3	H8	111.582
C2	C3	H9	110.709	C2	C5	H14	110.107
C2	C5	H15	112.810	C3	C2	C5	105.547
C3	C2	H6	110.070	C3	C2	H7	112.466
C3	C4	H10	109.998	C3	C4	H11	112.588
C4	C1	C5	103.410	C4	C1	H12	112.895
C4	C1	H13	110.173	C4	C3	H8	110.952
C4	C3	H9	111.081	C5	C1	H12	113.239
C5	C1	H13	109.786	C5	C2	H6	109.648
C5	C2	H7	112.356	H6	C2	H7	106.772
H8	C3	H9	106.564	H10	C4	H11	106.929
H12	C1	H13	107.325	H14	C5	H15	107.259

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: BLYP/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.262
2	C	-0.277
3	C	-0.279
4	C	-0.276
5	C	-0.267
6	H	0.139
7	H	0.134
8	H	0.136
9	H	0.137
10	H	0.139
11	H	0.133
12	H	0.133
13	H	0.138
14	H	0.138
15	H	0.133

	x	y	z	Total
	0.017	-0.003	-0.000	0.017
CHELPG
AIM
ESP

	x	y	z
x	9.292	0.001	-0.008
y	0.001	9.287	0.016
z	-0.008	0.016	7.920

<r²>	118.610
(<r²>)^1/2	10.891

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)