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	hartrees
Energy at 0K	-195.217210
Energy at 298.15K	-195.225987
Nuclear repulsion energy	169.636753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3103	32.94
2	A'	3031	3008	45.10
3	A'	2992	2969	60.83
4	A'	2971	2948	8.54
5	A'	2929	2906	36.47
6	A'	1636	1623	2.29
7	A'	1482	1471	0.37
8	A'	1459	1448	0.45
9	A'	1291	1281	0.08
10	A'	1197	1188	1.20
11	A'	1105	1097	0.07
12	A'	1042	1034	3.99
13	A'	946	938	0.37
14	A'	873	866	0.32
15	A'	797	791	0.29
16	A'	694	689	21.08
17	A'	601	597	9.89
18	A'	131	130	0.20
19	A"	3103	3079	10.17
20	A"	2976	2953	38.10
21	A"	2929	2906	60.47
22	A"	1463	1452	0.03
23	A"	1348	1338	0.19
24	A"	1284	1274	0.17
25	A"	1273	1263	1.60
26	A"	1193	1183	0.16
27	A"	1118	1109	1.11
28	A"	1003	995	1.54
29	A"	933	926	0.15
30	A"	894	887	4.53
31	A"	867	860	2.99
32	A"	758	752	0.18
33	A"	378	375	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.250	-1.220	0.000
C2	-0.064	-0.327	1.247
C3	-0.064	-0.327	-1.247
C4	-0.064	1.082	0.673
C5	-0.064	1.082	-0.673
H6	1.320	-1.482	0.000
H7	-0.316	-2.164	0.000
H8	-1.052	-0.567	1.688
H9	-1.052	-0.567	-1.688
H10	-0.101	1.976	1.302
H11	-0.101	1.976	-1.302
H12	0.672	-0.462	-2.058
H13	0.672	-0.462	2.058

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5655	1.5655	2.4188	2.4188	1.1020	1.1006	2.2294	2.2294	3.4683	3.4683	2.2334	2.2334
C2	1.5655		2.4938	1.5215	2.3814	2.1924	2.2344	1.1078	3.1060	2.3037	3.4349	3.3889	1.1042
C3	1.5655	2.4938		2.3814	1.5215	2.1924	2.2344	3.1060	1.1078	3.4349	2.3037	1.1042	3.3889
C4	2.4188	1.5215	2.3814		1.3457	2.9912	3.3246	2.1738	3.0446	1.0933	2.1675	3.2229	2.2017
C5	2.4188	2.3814	1.5215	1.3457		2.9912	3.3246	3.0446	2.1738	2.1675	1.0933	2.2017	3.2229
H6	1.1020	2.1924	2.1924	2.9912	2.9912		1.7722	3.0518	3.0518	3.9590	3.9590	2.3866	2.3866
H7	1.1006	2.2344	2.2344	3.3246	3.3246	1.7722		2.4375	2.4375	4.3449	4.3449	2.8474	2.8474
H8	2.2294	1.1078	3.1060	2.1738	3.0446	3.0518	2.4375		3.3764	2.7422	4.0384	4.1253	1.7664
H9	2.2294	3.1060	1.1078	3.0446	2.1738	3.0518	2.4375	3.3764		4.0384	2.7422	1.7664	4.1253
H10	3.4683	2.3037	3.4349	1.0933	2.1675	3.9590	4.3449	2.7422	4.0384		2.6031	4.2226	2.6675
H11	3.4683	3.4349	2.3037	2.1675	1.0933	3.9590	4.3449	4.0384	2.7422	2.6031		2.6675	4.2226
H12	2.2334	3.3889	1.1042	3.2229	2.2017	2.3866	2.8474	4.1253	1.7664	4.2226	2.6675		4.1163
H13	2.2334	1.1042	3.3889	2.2017	3.2229	2.3866	2.8474	1.7664	4.1253	2.6675	4.2226	4.1163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.165	C1	C2	H8	111.873
C1	C2	H13	112.413	C1	C3	C5	103.165
C1	C3	H9	111.873	C1	C3	H12	112.413
C2	C1	C3	105.591	C2	C1	H6	109.321
C2	C1	H7	112.713	C2	C4	C5	112.164
C2	C4	H10	122.691	C3	C1	H6	109.321
C3	C1	H7	112.713	C3	C5	C4	112.164
C3	C5	H11	122.691	C4	C2	H8	110.550
C4	C2	H13	113.007	C4	C5	H11	125.102
C5	C3	H9	110.550	C5	C3	H12	113.007
C5	C4	H10	125.102	H6	C1	H7	107.140
H8	C2	H13	105.981	H9	C3	H12	105.981

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: BLYP/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	-0.171
2	C	-0.183
3	C	-0.183
4	C	-0.040
5	C	-0.040
6	H	0.090
7	H	0.077
8	H	0.089
9	H	0.089
10	H	0.053
11	H	0.053
12	H	0.083
13	H	0.083

	x	y	z	Total
	-0.038	-0.166	0.000	0.171
CHELPG
AIM
ESP

<r²>	106.663
(<r²>)^1/2	10.328

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)