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	hartrees
Energy at 0K	-195.361575
Energy at 298.15K	-195.370481
HF Energy	-195.361575
Nuclear repulsion energy	171.065571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3090	31.33
2	A'	3100	2992	45.44
3	A'	3061	2954	59.99
4	A'	3042	2935	7.41
5	A'	3000	2895	31.95
6	A'	1682	1623	2.22
7	A'	1514	1461	0.35
8	A'	1490	1438	0.56
9	A'	1328	1281	0.09
10	A'	1231	1187	1.42
11	A'	1130	1091	0.08
12	A'	1069	1032	6.29
13	A'	977	943	0.55
14	A'	908	876	0.31
15	A'	817	789	0.94
16	A'	719	694	24.81
17	A'	602	581	7.64
18	A'	138	133	0.15
19	A"	3175	3064	10.37
20	A"	3050	2944	35.68
21	A"	3001	2896	62.12
22	A"	1495	1443	0.05
23	A"	1383	1334	0.61
24	A"	1321	1275	0.57
25	A"	1303	1257	1.27
26	A"	1224	1181	0.13
27	A"	1143	1103	1.27
28	A"	1039	1003	1.89
29	A"	976	941	0.18
30	A"	921	889	6.73
31	A"	890	859	1.79
32	A"	773	746	0.16
33	A"	385	372	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.260	-1.204	0.000
C2	-0.067	-0.326	1.236
C3	-0.067	-0.326	-1.236
C4	-0.067	1.073	0.667
C5	-0.067	1.073	-0.667
H6	1.329	-1.441	0.000
H7	-0.283	-2.153	0.000
H8	-1.052	-0.569	1.663
H9	-1.052	-0.569	-1.663
H10	-0.104	1.959	1.293
H11	-0.104	1.959	-1.293
H12	0.659	-0.459	-2.046
H13	0.659	-0.459	2.046

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5509	1.5509	2.3949	2.3949	1.0947	1.0932	2.2109	2.2109	3.4362	3.4362	2.2137	2.2137
C2	1.5509		2.4722	1.5105	2.3622	2.1725	2.2158	1.0998	3.0708	2.2861	3.4088	3.3645	1.0963
C3	1.5509	2.4722		2.3622	1.5105	2.1725	2.2158	3.0708	1.0998	3.4088	2.2861	1.0963	3.3645
C4	2.3949	1.5105	2.3622		1.3342	2.9519	3.3009	2.1576	3.0153	1.0854	2.1515	3.1997	2.1858
C5	2.3949	2.3622	1.5105	1.3342		2.9519	3.3009	3.0153	2.1576	2.1515	1.0854	2.1858	3.1997
H6	1.0947	2.1725	2.1725	2.9519	2.9519		1.7618	3.0318	3.0318	3.9095	3.9095	2.3663	2.3663
H7	1.0932	2.2158	2.2158	3.3009	3.3009	1.7618		2.4215	2.4215	4.3137	4.3137	2.8181	2.8181
H8	2.2109	1.0998	3.0708	2.1576	3.0153	3.0318	2.4215		3.3250	2.7246	4.0028	4.0859	1.7568
H9	2.2109	3.0708	1.0998	3.0153	2.1576	3.0318	2.4215	3.3250		4.0028	2.7246	1.7568	4.0859
H10	3.4362	2.2861	3.4088	1.0854	2.1515	3.9095	4.3137	2.7246	4.0028		2.5862	4.1931	2.6454
H11	3.4362	3.4088	2.2861	2.1515	1.0854	3.9095	4.3137	4.0028	2.7246	2.5862		2.6454	4.1931
H12	2.2137	3.3645	1.0963	3.1997	2.1858	2.3663	2.8181	4.0859	1.7568	4.1931	2.6454		4.0926
H13	2.2137	1.0963	3.3645	2.1858	3.1997	2.3663	2.8181	1.7568	4.0859	2.6454	4.1931	4.0926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.937	C1	C2	H8	111.919
C1	C2	H13	112.353	C1	C3	C5	102.937
C1	C3	H9	111.919	C1	C3	H12	112.353
C2	C1	C3	105.695	C2	C1	H6	109.195
C2	C1	H7	112.716	C2	C4	C5	112.128
C2	C4	H10	122.605	C3	C1	H6	109.195
C3	C1	H7	112.716	C3	C5	C4	112.128
C3	C5	H11	122.605	C4	C2	H8	110.512
C4	C2	H13	113.005	C4	C5	H11	125.222
C5	C3	H9	110.512	C5	C3	H12	113.005
C5	C4	H10	125.222	H6	C1	H7	107.268
H8	C2	H13	106.248	H9	C3	H12	106.248

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: TPSSh/6-31G(2df,p)

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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All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)