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	hartrees
Energy at 0K	-195.224954
Energy at 298.15K	-195.236804
HF Energy	-195.224954
Nuclear repulsion energy	188.320985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	2928	155.18
2	A	3204	2911	14.93
3	A	3203	2910	35.80
4	A	3201	2909	50.21
5	A	3187	2896	63.89
6	A	3178	2887	77.91
7	A	3159	2871	21.98
8	A	3154	2866	36.30
9	A	3148	2861	31.17
10	A	3142	2855	21.29
11	A	1648	1498	0.11
12	A	1621	1473	2.64
13	A	1620	1472	2.13
14	A	1613	1466	3.69
15	A	1606	1460	0.03
16	A	1476	1341	0.03
17	A	1474	1339	0.01
18	A	1461	1328	0.02
19	A	1438	1306	0.43
20	A	1425	1295	0.05
21	A	1386	1259	0.68
22	A	1342	1220	0.43
23	A	1333	1211	0.13
24	A	1311	1191	0.39
25	A	1288	1170	0.01
26	A	1125	1022	0.01
27	A	1103	1002	0.00
28	A	1074	976	0.33
29	A	1040	945	0.71
30	A	963	875	1.46
31	A	957	870	1.49
32	A	935	849	0.24
33	A	934	849	0.53
34	A	881	801	0.06
35	A	822	746	0.42
36	A	659	599	0.03
37	A	585	532	0.66
38	A	284	258	0.00
39	A	12	11	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.257	0.093	-0.225
C2	-0.934	-0.864	-0.180
C3	-1.123	0.651	0.043
C4	0.304	1.254	0.099
C5	0.503	-1.143	0.263
H6	-1.036	-1.100	-1.235
H7	-1.668	-1.458	0.351
H8	-1.649	0.838	0.972
H9	-1.719	1.095	-0.745
H10	0.510	1.632	1.094
H11	0.428	2.086	-0.583
H12	2.232	0.211	0.232
H13	1.410	0.022	-1.298
H14	0.554	-1.203	1.347
H15	0.898	-2.072	-0.132

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.3916	2.4594	1.5365	1.5283	2.7750	3.3603	3.2294	3.1827	2.1599	2.1885	1.0834	1.0863	2.1552	2.1964
C2	2.3916		1.5428	2.4693	1.5300	1.0855	1.0832	2.1757	2.1842	3.1521	3.2742	3.3696	2.7437	2.1601	2.1951
C3	2.4594	1.5428		1.5505	2.4318	2.1696	2.2003	1.0835	1.0829	2.1754	2.2037	3.3896	2.9342	2.8204	3.3955
C4	1.5365	2.4693	1.5505		2.4114	3.0193	3.3629	2.1790	2.1977	1.0842	1.0828	2.1963	2.1661	2.7675	3.3863
C5	1.5283	1.5300	2.4318	2.4114		2.1480	2.1950	3.0096	3.3111	2.8967	3.3397	2.1970	2.1487	1.0870	1.0835
H6	2.7750	1.0855	2.1696	3.0193	2.1480		1.7443	3.0003	2.3503	3.9082	3.5665	3.8146	2.6911	3.0345	2.4285
H7	3.3603	1.0832	2.2003	3.3629	2.1950	1.7443		2.3790	2.7791	3.8522	4.2222	4.2440	3.7919	2.4487	2.6815
H8	3.2294	2.1757	1.0835	2.1790	3.0096	3.0003	2.3790		1.7376	2.3025	2.8783	4.0003	3.8949	3.0267	4.0212
H9	3.1827	2.1842	1.0829	2.1977	3.3111	2.3503	2.7791	1.7376		2.9389	2.3698	4.1650	3.3532	3.8506	4.1532
H10	2.1599	3.1521	2.1754	1.0842	2.8967	3.9082	3.8522	2.3025	2.9389		1.7396	2.3936	3.0206	2.8461	3.9203
H11	2.1885	3.2742	2.2037	1.0828	3.3397	3.5665	4.2222	2.8783	2.3698	1.7396		2.7272	2.3956	3.8160	4.2088
H12	1.0834	3.3696	3.3896	2.1963	2.1970	3.8146	4.2440	4.0003	4.1650	2.3936	2.7272		1.7472	2.4616	2.6694
H13	1.0863	2.7437	2.9342	2.1661	2.1487	2.6911	3.7919	3.8949	3.3532	3.0206	2.3956	1.7472		3.0379	2.4501
H14	2.1552	2.1601	2.8204	2.7675	1.0870	3.0345	2.4487	3.0267	3.8506	2.8461	3.8160	2.4616	3.0379		1.7500
H15	2.1964	2.1951	3.3955	3.3863	1.0835	2.4285	2.6815	4.0212	4.1532	3.9203	4.2088	2.6694	2.4501	1.7500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.631	C1	C4	H10	109.810
C1	C4	H11	112.182	C1	C5	C2	102.888
C1	C5	H14	109.838	C1	C5	H15	113.376
C2	C3	C4	105.927	C2	C3	H8	110.658
C2	C3	H9	111.370	C2	C5	H14	110.104
C2	C5	H15	113.142	C3	C2	C5	104.629
C3	C2	H6	110.048	C3	C2	H7	112.660
C3	C4	H10	110.054	C3	C4	H11	112.399
C4	C1	C5	103.777	C4	C1	H12	112.782
C4	C1	H13	110.173	C4	C3	H8	110.379
C4	C3	H9	111.913	C5	C1	H12	113.443
C5	C1	H13	109.367	C5	C2	H6	109.237
C5	C2	H7	113.163	H6	C2	H7	107.088
H8	C3	H9	106.658	H10	C4	H11	106.791
H12	C1	H13	107.276	H14	C5	H15	107.458

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.185
2	C	-0.272
3	C	-0.282
4	C	-0.335
5	C	-0.182
6	H	0.142
7	H	0.110
8	H	0.132
9	H	0.124
10	H	0.140
11	H	0.119
12	H	0.107
13	H	0.139
14	H	0.136
15	H	0.106

	x	y	z	Total
	0.010	-0.012	0.000	0.016
CHELPG
AIM
ESP

	x	y	z
x	8.528	0.005	-0.000
y	0.005	8.522	0.016
z	-0.000	0.016	7.414

<r²>	115.057
(<r²>)^1/2	10.726

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)