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	hartrees
Energy at 0K	-196.424765
Energy at 298.15K
HF Energy	-196.424765
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3063	3003	126.20
2	A	3048	2988	22.78
3	A	3046	2987	35.00
4	A	3042	2982	20.13
5	A	3033	2973	43.04
6	A	3010	2951	61.55
7	A	2994	2935	38.55
8	A	2992	2933	23.89
9	A	2984	2925	46.12
10	A	2979	2921	25.03
11	A	1522	1492	0.03
12	A	1496	1467	2.14
13	A	1496	1466	0.98
14	A	1490	1461	2.61
15	A	1485	1456	0.10
16	A	1338	1312	1.04
17	A	1336	1310	1.09
18	A	1333	1307	0.05
19	A	1314	1288	0.39
20	A	1288	1263	0.00
21	A	1272	1247	0.83
22	A	1228	1204	0.22
23	A	1215	1191	0.55
24	A	1193	1170	0.24
25	A	1162	1140	0.01
26	A	1039	1019	0.02
27	A	1027	1007	0.00
28	A	994	975	0.43
29	A	963	944	0.99
30	A	899	881	1.49
31	A	890	873	1.53
32	A	872	855	0.46
33	A	860	843	0.55
34	A	814	798	0.18
35	A	763	748	0.87
36	A	606	594	0.18
37	A	541	530	1.29
38	A	263	258	0.00
39	A	33i	33i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.773	-0.995	0.259
C2	0.002	1.294	0.129
C3	-1.255	0.376	0.013
C4	-0.711	-1.074	-0.155
C5	1.201	0.395	-0.246
H6	0.118	1.643	1.167
H7	-0.069	2.190	-0.503
H8	-1.887	0.661	-0.840
H9	-1.882	0.462	0.912
H10	-0.777	-1.380	-1.211
H11	-1.279	-1.811	0.429
H12	1.379	-1.816	-0.151
H13	0.862	-1.032	1.357
H14	1.324	0.365	-1.342
H15	2.151	0.744	0.183

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4182	2.4596	1.5424	1.5389	2.8653	3.3809	3.3199	3.0978	2.1707	2.2153	1.0998	1.1030	2.1711	2.2198
C2	2.4182		1.5604	2.4888	1.5446	1.1011	1.0992	2.2149	2.2031	3.0903	3.3724	3.4124	2.7673	2.1850	2.2185
C3	2.4596	1.5604		1.5576	2.4689	2.1952	2.2281	1.0993	1.0995	2.1931	2.2266	3.4305	2.8757	2.9132	3.4294
C4	1.5424	2.4888	1.5576		2.4120	3.1327	3.3446	2.2049	2.2068	1.1016	1.0993	2.2178	2.1827	2.7603	3.4070
C5	1.5389	1.5446	2.4689	2.4120		2.1743	2.2135	3.1551	3.2935	2.8267	3.3870	2.2197	2.1730	1.1029	1.0998
H6	2.8653	1.1011	2.1952	3.1327	2.1743		1.7676	3.0013	2.3358	3.9485	3.7981	3.9101	2.7828	3.0631	2.4306
H7	3.3809	1.0992	2.2281	3.3446	2.2135	1.7676		2.3992	2.8771	3.7074	4.2832	4.2739	3.8354	2.4440	2.7361
H8	3.3199	2.2149	1.0993	2.2049	3.1551	3.0013	2.3992		1.7633	2.3525	2.8446	4.1565	3.9052	3.2634	4.1658
H9	3.0978	2.2031	1.0995	2.2068	3.2935	2.3358	2.8771	1.7633		3.0203	2.4010	4.1174	3.1558	3.9202	4.1074
H10	2.1707	3.0903	2.1931	1.1016	2.8267	3.9485	3.7074	2.3525	3.0203		1.7692	2.4423	3.0671	2.7341	3.8765
H11	2.2153	3.3724	2.2266	1.0993	3.3870	3.7981	4.2832	2.8446	2.4010	1.7692		2.7211	2.4607	3.8275	4.2843
H12	1.0998	3.4124	3.4305	2.2178	2.2197	3.9101	4.2739	4.1565	4.1174	2.4423	2.7211		1.7767	2.4854	2.6945
H13	1.1030	2.7673	2.8757	2.1827	2.1730	2.7828	3.8354	3.9052	3.1558	3.0671	2.4607	1.7767		3.0742	2.4887
H14	2.1711	2.1850	2.9132	2.7603	1.1029	3.0631	2.4440	3.2634	3.9202	2.7341	3.8275	2.4854	3.0742		1.7757
H15	2.2198	2.2185	3.4294	3.4070	1.0998	2.4306	2.7361	4.1658	4.1074	3.8765	4.2843	2.6945	2.4887	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.016	C1	C4	H10	109.232
C1	C4	H11	112.909	C1	C5	C2	103.306
C1	C5	H14	109.435	C1	C5	H15	113.506
C2	C3	C4	105.919	C2	C3	H8	111.595
C2	C3	H9	110.642	C2	C5	H14	110.125
C2	C5	H15	112.982	C3	C2	C5	105.339
C3	C2	H6	109.932	C3	C2	H7	112.657
C3	C4	H10	109.940	C3	C4	H11	112.728
C4	C1	C5	103.038	C4	C1	H12	113.085
C4	C1	H13	110.081	C4	C3	H8	110.998
C4	C3	H9	111.132	C5	C1	H12	113.496
C5	C1	H13	109.570	C5	C2	H6	109.392
C5	C2	H7	112.613	H6	C2	H7	106.904
H8	C3	H9	106.630	H10	C4	H11	106.999
H12	C1	H13	107.522	H14	C5	H15	107.444

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: B97D3/6-31G*

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	-0.274
2	C	-0.277
3	C	-0.278
4	C	-0.276
5	C	-0.274
6	H	0.139
7	H	0.138
8	H	0.140
9	H	0.140
10	H	0.138
11	H	0.138
12	H	0.137
13	H	0.136
14	H	0.136
15	H	0.137

	x	y	z	Total
	-0.005	0.002	0.001	0.006
CHELPG
AIM
ESP

	x	y	z
x	7.875	0.004	0.001
y	0.004	7.880	0.006
z	0.001	0.006	7.142

<r²>	116.255
(<r²>)^1/2	10.782

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)