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	hartrees
Energy at 0K	-194.781216
Energy at 298.15K	-194.790248
HF Energy	-194.010097
Nuclear repulsion energy	171.583520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3068	21.89
2	A'	3162	2995	38.83
3	A'	3128	2963	29.70
4	A'	3097	2933	22.91
5	A'	3062	2900	26.16
6	A'	1664	1576	0.68
7	A'	1545	1463	2.61
8	A'	1521	1441	3.75
9	A'	1351	1279	2.39
10	A'	1263	1196	1.51
11	A'	1137	1077	0.31
12	A'	1086	1028	6.26
13	A'	1000	947	1.75
14	A'	939	889	0.80
15	A'	851	806	0.28
16	A'	712	674	42.31
17	A'	596	564	12.44
18	A'	189	179	0.15
19	A"	3214	3044	6.18
20	A"	3128	2962	22.12
21	A"	3065	2903	47.03
22	A"	1526	1445	3.51
23	A"	1394	1320	3.03
24	A"	1357	1285	0.96
25	A"	1320	1250	1.82
26	A"	1239	1174	0.01
27	A"	1174	1112	2.06
28	A"	1067	1011	1.13
29	A"	947	897	4.38
30	A"	933	883	4.84
31	A"	914	865	1.06
32	A"	778	737	0.25
33	A"	394	373	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.337	-1.175	0.000
C2	-0.087	-0.338	1.223
C3	-0.087	-0.338	-1.223
C4	-0.087	1.067	0.671
C5	-0.087	1.067	-0.671
H6	1.426	-1.276	0.000
H7	-0.093	-2.180	0.000
H8	-1.093	-0.611	1.566
H9	-1.093	-0.611	-1.566
H10	-0.133	1.957	1.293
H11	-0.133	1.957	-1.293
H12	0.587	-0.468	-2.075
H13	0.587	-0.468	2.075

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5411	1.5411	2.3789	2.3789	1.0941	1.0928	2.1948	2.1948	3.4208	3.4208	2.2068	2.2068
C2	1.5411		2.4452	1.5098	2.3581	2.1595	2.2107	1.0983	2.9775	2.2962	3.4053	3.3684	1.0942
C3	1.5411	2.4452		2.3581	1.5098	2.1595	2.2107	2.9775	1.0983	3.4053	2.2962	1.0942	3.3684
C4	2.3789	1.5098	2.3581		1.3418	2.8688	3.3159	2.1522	2.9724	1.0863	2.1564	3.2173	2.1867
C5	2.3789	2.3581	1.5098	1.3418		2.8688	3.3159	2.9724	2.1522	2.1564	1.0863	2.1867	3.2173
H6	1.0941	2.1595	2.1595	2.8688	2.8688		1.7682	3.0405	3.0405	3.8149	3.8149	2.3802	2.3802
H7	1.0928	2.2107	2.2107	3.3159	3.3159	1.7682		2.4320	2.4320	4.3341	4.3341	2.7751	2.7751
H8	2.1948	1.0983	2.9775	2.1522	2.9724	3.0405	2.4320		3.1323	2.7548	3.9610	4.0129	1.7614
H9	2.1948	2.9775	1.0983	2.9724	2.1522	3.0405	2.4320	3.1323		3.9610	2.7548	1.7614	4.0129
H10	3.4208	2.2962	3.4053	1.0863	2.1564	3.8149	4.3341	2.7548	3.9610		2.5861	4.2120	2.6471
H11	3.4208	3.4053	2.2962	2.1564	1.0863	3.8149	4.3341	3.9610	2.7548	2.5861		2.6471	4.2120
H12	2.2068	3.3684	1.0942	3.2173	2.1867	2.3802	2.7751	4.0129	1.7614	4.2120	2.6471		4.1506
H13	2.2068	1.0942	3.3684	2.1867	3.2173	2.3802	2.7751	1.7614	4.0129	2.6471	4.2120	4.1506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.464	C1	C2	H8	111.413
C1	C2	H13	112.633	C1	C3	C5	102.464
C1	C3	H9	111.413	C1	C3	H12	112.633
C2	C1	C3	104.993	C2	C1	H6	108.880
C2	C1	H7	113.032	C2	C4	C5	111.432
C2	C4	H10	123.554	C3	C1	H6	108.880
C3	C1	H7	113.032	C3	C5	C4	111.432
C3	C5	H11	123.554	C4	C2	H8	110.220
C4	C2	H13	113.263	C4	C5	H11	124.942
C5	C3	H9	110.220	C5	C3	H12	113.263
C5	C4	H10	124.942	H6	C1	H7	107.904
H8	C2	H13	106.911	H9	C3	H12	106.911

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)