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	hartrees
Energy at 0K	-195.252451
Energy at 298.15K	-195.261230
Nuclear repulsion energy	169.800953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	3098	37.94
2	A'	3013	3006	56.97
3	A'	2979	2971	70.41
4	A'	2955	2948	6.26
5	A'	2916	2909	43.63
6	A'	1622	1618	2.01
7	A'	1486	1482	2.25
8	A'	1462	1459	1.03
9	A'	1288	1284	0.60
10	A'	1204	1201	1.40
11	A'	1102	1099	0.09
12	A'	1043	1040	5.68
13	A'	942	940	0.83
14	A'	871	869	0.58
15	A'	796	794	0.53
16	A'	686	684	31.17
17	A'	606	605	15.45
18	A'	128	128	0.20
19	A"	3080	3073	14.94
20	A"	2961	2953	49.37
21	A"	2917	2910	62.11
22	A"	1467	1463	1.51
23	A"	1342	1339	1.22
24	A"	1287	1284	0.01
25	A"	1277	1274	2.53
26	A"	1194	1191	0.07
27	A"	1131	1128	1.21
28	A"	1001	999	1.58
29	A"	920	918	0.04
30	A"	893	891	4.80
31	A"	867	865	5.35
32	A"	762	760	0.33
33	A"	380	379	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.242	-1.221	0.000
C2	-0.062	-0.326	1.246
C3	-0.062	-0.326	-1.246
C4	-0.062	1.082	0.671
C5	-0.062	1.082	-0.671
H6	1.307	-1.499	0.000
H7	-0.335	-2.156	0.000
H8	-1.045	-0.563	1.693
H9	-1.045	-0.563	-1.693
H10	-0.097	1.976	1.298
H11	-0.097	1.976	-1.298
H12	0.678	-0.460	-2.051
H13	0.678	-0.460	2.051

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5647	1.5647	2.4187	2.4187	1.1002	1.0988	2.2270	2.2270	3.4676	3.4676	2.2311	2.2311
C2	1.5647		2.4924	1.5209	2.3784	2.1922	2.2313	1.1058	3.1088	2.3025	3.4309	3.3824	1.1023
C3	1.5647	2.4924		2.3784	1.5209	2.1922	2.2313	3.1088	1.1058	3.4309	2.3025	1.1023	3.3824
C4	2.4187	1.5209	2.3784		1.3415	2.9983	3.3185	2.1725	3.0436	1.0924	2.1623	3.2153	2.1986
C5	2.4187	2.3784	1.5209	1.3415		2.9983	3.3185	3.0436	2.1725	2.1623	1.0924	2.1986	3.2153
H6	1.1002	2.1922	2.1922	2.9983	2.9983		1.7685	3.0459	3.0459	3.9668	3.9668	2.3840	2.3840
H7	1.0988	2.2313	2.2313	3.3185	3.3185	1.7685		2.4311	2.4311	4.3379	4.3379	2.8482	2.8482
H8	2.2270	1.1058	3.1088	2.1725	3.0436	3.0459	2.4311		3.3870	2.7392	4.0366	4.1238	1.7634
H9	2.2270	3.1088	1.1058	3.0436	2.1725	3.0459	2.4311	3.3870		4.0366	2.7392	1.7634	4.1238
H10	3.4676	2.3025	3.4309	1.0924	2.1623	3.9668	4.3379	2.7392	4.0366		2.5957	4.2137	2.6655
H11	3.4676	3.4309	2.3025	2.1623	1.0924	3.9668	4.3379	4.0366	2.7392	2.5957		2.6655	4.2137
H12	2.2311	3.3824	1.1023	3.2153	2.1986	2.3840	2.8482	4.1238	1.7634	4.2137	2.6655		4.1029
H13	2.2311	1.1023	3.3824	2.1986	3.2153	2.3840	2.8482	1.7634	4.1238	2.6655	4.2137	4.1029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.219	C1	C2	H8	111.853
C1	C2	H13	112.399	C1	C3	C5	103.219
C1	C3	H9	111.853	C1	C3	H12	112.399
C2	C1	C3	105.578	C2	C1	H6	109.456
C2	C1	H7	112.627	C2	C4	C5	112.230
C2	C4	H10	122.699	C3	C1	H6	109.456
C3	C1	H7	112.627	C3	C5	C4	112.230
C3	C5	H11	122.699	C4	C2	H8	110.606
C4	C2	H13	112.920	C4	C5	H11	125.031
C5	C3	H9	110.606	C5	C3	H12	112.920
C5	C4	H10	125.031	H6	C1	H7	107.072
H8	C2	H13	105.991	H9	C3	H12	105.991

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.396
2	C	-0.401
3	C	-0.401
4	C	-0.157
5	C	-0.157
6	H	0.198
7	H	0.195
8	H	0.195
9	H	0.195
10	H	0.169
11	H	0.169
12	H	0.196
13	H	0.196

	x	y	z	Total
	-0.044	-0.153	0.000	0.159
CHELPG
AIM
ESP

<r²>	107.003
(<r²>)^1/2	10.344

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)