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	hartrees
Energy at 0K	-195.373729
Energy at 298.15K	-195.385399
HF Energy	-195.373729
Nuclear repulsion energy	187.150562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3022	66.31
2	A	3142	3006	14.16
3	A	3141	3005	16.41
4	A	3135	2999	9.42
5	A	3126	2991	24.08
6	A	3100	2966	36.76
7	A	3084	2950	21.29
8	A	3082	2948	17.96
9	A	3075	2942	27.31
10	A	3071	2938	16.10
11	A	1565	1497	0.53
12	A	1541	1475	10.65
13	A	1538	1471	4.89
14	A	1532	1466	7.09
15	A	1528	1462	1.46
16	A	1372	1313	0.93
17	A	1370	1311	1.03
18	A	1365	1306	0.24
19	A	1352	1293	2.74
20	A	1346	1288	0.25
21	A	1316	1259	1.87
22	A	1271	1216	0.08
23	A	1246	1192	0.59
24	A	1228	1175	0.36
25	A	1189	1137	0.01
26	A	1060	1014	0.04
27	A	1057	1012	0.03
28	A	1027	982	1.21
29	A	995	952	2.08
30	A	919	879	2.77
31	A	912	873	3.04
32	A	890	851	1.00
33	A	882	844	1.47
34	A	835	799	0.55
35	A	777	743	2.15
36	A	619	592	0.25
37	A	545	521	2.11
38	A	274	262	0.00
39	A	39	37	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.019	-0.731	0.274
C2	-0.357	1.240	0.141
C3	-1.310	0.009	0.010
C4	-0.377	-1.229	-0.160
C5	1.036	0.710	-0.265
H6	-0.321	1.570	1.185
H7	-0.680	2.083	-0.473
H8	-1.973	0.115	-0.852
H9	-1.932	-0.091	0.903
H10	-0.337	-1.518	-1.215
H11	-0.719	-2.090	0.419
H12	1.829	-1.350	-0.118
H13	1.087	-0.712	1.368
H14	1.124	0.686	-1.358
H15	1.852	1.315	0.140

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4070	2.4576	1.5435	1.5391	2.8142	3.3712	3.3065	3.0836	2.1619	2.2102	1.0930	1.0963	2.1639	2.2133
C2	2.4070		1.5622	2.4871	1.5445	1.0947	1.0924	2.2060	2.1981	3.0733	3.3609	3.3991	2.7198	2.1787	2.2093
C3	2.4576	1.5622		1.5598	2.4638	2.1896	2.2205	1.0925	1.0927	2.1861	2.2190	3.4232	2.8477	2.8725	3.4229
C4	1.5435	2.4871	1.5598		2.4013	3.1056	3.3407	2.1984	2.2005	1.0950	1.0926	2.2094	2.1779	2.7116	3.3948
C5	1.5391	1.5445	2.4638	2.4013		2.1642	2.2078	3.1230	3.2884	2.7839	3.3746	2.2127	2.1664	1.0963	1.0930
H6	2.8142	1.0947	2.1896	3.1056	2.1642		1.7717	2.9993	2.3308	3.9108	3.7603	3.8537	2.6877	3.0551	2.4244
H7	3.3712	1.0924	2.2205	3.3407	2.2078	1.7717		2.3855	2.8609	3.6927	4.2676	4.2676	3.7848	2.4478	2.7158
H8	3.3065	2.2060	1.0925	2.1984	3.1230	2.9993	2.3855		1.7674	2.3395	2.8372	4.1400	3.8698	3.1895	4.1293
H9	3.0836	2.1981	1.0927	2.2005	3.2884	2.3308	2.8609	1.7674		3.0108	2.3877	4.0955	3.1166	3.8795	4.1075
H10	2.1619	3.0733	2.1861	1.0950	2.7839	3.9108	3.6927	2.3395	3.0108		1.7734	2.4335	3.0578	2.6476	3.8272
H11	2.2102	3.3609	2.2190	1.0926	3.3746	3.7603	4.2676	2.8372	2.3877	1.7734		2.7069	2.4614	3.7759	4.2751
H12	1.0930	3.3991	3.4232	2.2094	2.2127	3.8537	4.2676	4.1400	4.0955	2.4335	2.7069		1.7803	2.4857	2.6778
H13	1.0963	2.7198	2.8477	2.1779	2.1664	2.6877	3.7848	3.8698	3.1166	3.0578	2.4614	1.7803		3.0637	2.4905
H14	2.1639	2.1787	2.8725	2.7116	1.0963	3.0551	2.4478	3.1895	3.8795	2.6476	3.7759	2.4857	3.0637		1.7796
H15	2.2133	2.2093	3.4229	3.3948	1.0930	2.4244	2.7158	4.1293	4.1075	3.8272	4.2751	2.6778	2.4905	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.735	C1	C4	H10	108.860
C1	C4	H11	112.832	C1	C5	C2	102.627
C1	C5	H14	109.235	C1	C5	H15	113.377
C2	C3	C4	105.623	C2	C3	H8	111.158
C2	C3	H9	110.523	C2	C5	H14	110.022
C2	C5	H15	112.669	C3	C2	C5	104.944
C3	C2	H6	109.741	C3	C2	H7	112.327
C3	C4	H10	109.626	C3	C4	H11	112.373
C4	C1	C5	102.337	C4	C1	H12	112.745
C4	C1	H13	110.028	C4	C3	H8	110.728
C4	C3	H9	110.886	C5	C1	H12	113.331
C5	C1	H13	109.428	C5	C2	H6	108.981
C5	C2	H7	112.579	H6	C2	H7	108.200
H8	C3	H9	107.950	H10	C4	H11	108.324
H12	C1	H13	108.813	H14	C5	H15	108.759

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: B1B95/3-21G

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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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	-0.418
2	C	-0.416
3	C	-0.415
4	C	-0.416
5	C	-0.418
6	H	0.210
7	H	0.207
8	H	0.210
9	H	0.210
10	H	0.210
11	H	0.207
12	H	0.206
13	H	0.208
14	H	0.208
15	H	0.206

	x	y	z	Total
	0.002	0.001	-0.000	0.002
CHELPG
AIM
ESP

	x	y	z
x	7.287	0.002	-0.000
y	0.002	7.292	0.007
z	-0.000	0.007	6.674

<r²>	115.466
(<r²>)^1/2	10.746

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)