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	hartrees
Energy at 0K	-196.566403
Energy at 298.15K
HF Energy	-196.566403
Nuclear repulsion energy	188.155643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	2994	97.55
2	A	3116	2980	32.00
3	A	3114	2979	21.15
4	A	3111	2976	13.08
5	A	3098	2964	30.19
6	A	3079	2945	54.23
7	A	3063	2930	34.31
8	A	3059	2927	24.45
9	A	3052	2919	37.20
10	A	3045	2913	19.52
11	A	1529	1462	0.12
12	A	1507	1442	4.58
13	A	1500	1435	4.74
14	A	1498	1433	5.16
15	A	1486	1421	0.31
16	A	1364	1305	0.21
17	A	1357	1298	0.19
18	A	1349	1290	0.01
19	A	1335	1277	0.59
20	A	1315	1258	0.02
21	A	1294	1238	0.81
22	A	1249	1195	0.13
23	A	1241	1187	0.31
24	A	1214	1162	0.20
25	A	1190	1138	0.01
26	A	1069	1023	0.03
27	A	1051	1006	0.01
28	A	1015	971	0.50
29	A	978	935	1.15
30	A	925	885	1.99
31	A	916	876	2.17
32	A	900	861	0.62
33	A	880	842	0.74
34	A	832	796	0.12
35	A	767	734	0.64
36	A	623	596	0.06
37	A	555	531	1.08
38	A	269	257	0.00
39	A	81i	78i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.038	-0.698	0.256
C2	-0.401	1.220	0.126
C3	-1.298	-0.036	0.016
C4	-0.337	-1.233	-0.155
C5	1.009	0.745	-0.242
H6	-0.404	1.593	1.151
H7	-0.745	2.034	-0.511
H8	-1.984	0.037	-0.828
H9	-1.911	-0.151	0.909
H10	-0.306	-1.540	-1.202
H11	-0.643	-2.101	0.426
H12	1.861	-1.280	-0.158
H13	1.138	-0.711	1.344
H14	1.142	0.760	-1.326
H15	1.790	1.368	0.194

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4015	2.4399	1.5307	1.5269	2.8510	3.3514	3.2930	3.0691	2.1539	2.1959	1.0896	1.0930	2.1537	2.1994
C2	2.4015		1.5475	2.4697	1.5329	1.0910	1.0891	2.1941	2.1843	3.0646	3.3437	3.3837	2.7535	2.1687	2.1974
C3	2.4399	1.5475		1.5447	2.4496	2.1781	2.2066	1.0893	1.0895	2.1748	2.2054	3.3998	2.8558	2.8964	3.3971
C4	1.5307	2.4697	1.5447		2.3938	3.1138	3.3116	2.1858	2.1867	1.0914	1.0892	2.1981	2.1666	2.7435	3.3773
C5	1.5269	1.5329	2.4496	2.3938		2.1573	2.1934	3.1309	3.2638	2.8062	3.3582	2.1988	2.1567	1.0928	1.0895
H6	2.8510	1.0910	2.1781	3.1138	2.1573		1.7529	2.9725	2.3175	3.9197	3.7723	3.8852	2.7787	3.0367	2.4040
H7	3.3514	1.0891	2.2066	3.3116	2.1934	1.7529		2.3717	2.8547	3.6673	4.2417	4.2310	3.8107	2.4192	2.7143
H8	3.2930	2.1941	1.0893	2.1858	3.1309	2.9725	2.3717		1.7488	2.3330	2.8184	4.1190	3.8758	3.2470	4.1300
H9	3.0691	2.1843	1.0895	2.1867	3.2638	2.3175	2.8547	1.7488		2.9939	2.3760	4.0791	3.1300	3.8918	4.0636
H10	2.1539	3.0646	2.1748	1.0914	2.8062	3.9197	3.6673	2.3330	2.9939		1.7548	2.4196	3.0422	2.7206	3.8467
H11	2.1959	3.3437	2.2054	1.0892	3.3582	3.7723	4.2417	2.8184	2.3760	1.7548		2.6989	2.4386	3.8002	4.2434
H12	1.0896	3.3837	3.3998	2.1981	2.1988	3.8852	4.2310	4.1190	4.0791	2.4196	2.6989		1.7610	2.4582	2.6718
H13	1.0930	2.7535	2.8558	2.1666	2.1567	2.7787	3.8107	3.8758	3.1300	3.0422	2.4386	1.7610		3.0483	2.4634
H14	2.1537	2.1687	2.8964	2.7435	1.0928	3.0367	2.4192	3.2470	3.8918	2.7206	3.8002	2.4582	3.0483		1.7607
H15	2.1994	2.1974	3.3971	3.3773	1.0895	2.4040	2.7143	4.1300	4.0636	3.8467	4.2434	2.6718	2.4634	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	104.995	C1	C4	H10	109.310
C1	C4	H11	112.802	C1	C5	C2	103.413
C1	C5	H14	109.475	C1	C5	H15	113.350
C2	C3	C4	106.012	C2	C3	H8	111.450
C2	C3	H9	110.655	C2	C5	H14	110.244
C2	C5	H15	112.752	C3	C2	C5	105.352
C3	C2	H6	110.079	C3	C2	H7	112.473
C3	C4	H10	109.986	C3	C4	H11	112.566
C4	C1	C5	103.052	C4	C1	H12	112.960
C4	C1	H13	110.219	C4	C3	H8	110.983
C4	C3	H9	111.040	C5	C1	H12	113.294
C5	C1	H13	109.700	C5	C2	H6	109.454
C5	C2	H7	112.451	H6	C2	H7	107.037
H8	C3	H9	106.771	H10	C4	H11	107.169
H12	C1	H13	107.580	H14	C5	H15	107.571

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.499
2	C	-0.475
3	C	-0.575
4	C	-0.467
5	C	-0.503
6	H	0.200
7	H	0.317
8	H	0.258
9	H	0.221
10	H	0.198
11	H	0.320
12	H	0.301
13	H	0.207
14	H	0.191
15	H	0.307

	x	y	z	Total
	0.018	-0.010	0.001	0.020
CHELPG
AIM
ESP

	x	y	z
x	9.118	0.003	0.002
y	0.003	9.122	0.016
z	0.002	0.016	7.908

<r²>	114.936
(<r²>)^1/2	10.721

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)