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	hartrees
Energy at 0K	-192.842156
Energy at 298.15K	-192.850580
Nuclear repulsion energy	167.290811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3376	3123	1.07
2	A'	3359	3108	4.57
3	A'	3303	3056	6.47
4	A'	3253	3010	4.85
5	A'	3210	2970	0.15
6	A'	1760	1628	0.68
7	A'	1638	1516	0.50
8	A'	1618	1497	0.20
9	A'	1405	1300	0.16
10	A'	1285	1189	0.15
11	A'	1164	1077	0.19
12	A'	1114	1030	0.76
13	A'	1011	936	0.11
14	A'	929	859	0.06
15	A'	810	750	0.05
16	A'	712	658	2.83
17	A'	686	635	21.72
18	A'	35	33	0.13
19	A"	3343	3093	6.52
20	A"	3302	3055	0.03
21	A"	3209	2969	10.74
22	A"	1624	1502	0.00
23	A"	1448	1340	0.38
24	A"	1370	1268	1.63
25	A"	1347	1247	1.95
26	A"	1326	1226	0.45
27	A"	1209	1119	0.02
28	A"	1100	1018	0.39
29	A"	975	902	0.00
30	A"	949	878	2.97
31	A"	943	872	0.54
32	A"	797	738	0.10
33	A"	371	343	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.043	-1.272	0.000
C2	-0.011	-0.320	1.273
C3	-0.011	-0.320	-1.273
C4	-0.011	1.107	0.675
C5	-0.011	1.107	-0.675
H6	0.980	-1.867	0.000
H7	-0.808	-1.984	0.000
H8	-0.927	-0.502	1.881
H9	-0.927	-0.502	-1.881
H10	-0.017	2.005	1.320
H11	-0.017	2.005	-1.320
H12	0.863	-0.482	-1.945
H13	0.863	-0.482	1.945

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5902	1.5902	2.4732	2.4732	1.1099	1.1098	2.2524	2.2524	3.5333	3.5333	2.2532	2.2532
C2	1.5902		2.5455	1.5471	2.4146	2.2352	2.2413	1.1145	3.2892	2.3255	3.4828	3.3379	1.1141
C3	1.5902	2.5455		2.4146	1.5471	2.2352	2.2413	3.2892	1.1145	3.4828	2.3255	1.1141	3.3379
C4	2.4732	1.5471	2.4146		1.3500	3.2068	3.2625	2.2094	3.1560	1.1059	2.1881	3.1860	2.2136
C5	2.4732	2.4146	1.5471	1.3500		3.2068	3.2625	3.1560	2.2094	2.1881	1.1059	2.2136	3.1860
H6	1.1099	2.2352	2.2352	3.2068	3.2068		1.7917	3.0068	3.0068	4.2108	4.2108	2.3905	2.3905
H7	1.1098	2.2413	2.2413	3.2625	3.2625	1.7917		2.3979	2.3979	4.2756	4.2756	2.9713	2.9713
H8	2.2524	1.1145	3.2892	2.2094	3.1560	3.0068	2.3979		3.7622	2.7252	4.1667	4.2238	1.7911
H9	2.2524	3.2892	1.1145	3.1560	2.2094	3.0068	2.3979	3.7622		4.1667	2.7252	1.7911	4.2238
H10	3.5333	2.3255	3.4828	1.1059	2.1881	4.2108	4.2756	2.7252	4.1667		2.6406	4.1974	2.7107
H11	3.5333	3.4828	2.3255	2.1881	1.1059	4.2108	4.2756	4.1667	2.7252	2.6406		2.7107	4.1974
H12	2.2532	3.3379	1.1141	3.1860	2.2136	2.3905	2.9713	4.2238	1.7911	4.1974	2.7107		3.8893
H13	2.2532	1.1141	3.3379	2.2136	3.1860	2.3905	2.9713	1.7911	4.2238	2.7107	4.1974	3.8893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	104.052	C1	C2	H8	111.560
C1	C2	H13	111.646	C1	C3	C5	104.052
C1	C3	H9	111.560	C1	C3	H12	111.646
C2	C1	C3	106.333	C2	C1	H6	110.485
C2	C1	H7	110.966	C2	C4	C5	112.728
C2	C4	H10	121.573	C3	C1	H6	110.485
C3	C1	H7	110.966	C3	C5	C4	112.728
C3	C5	H11	121.573	C4	C2	H8	111.174
C4	C2	H13	111.531	C4	C5	H11	125.698
C5	C3	H9	111.174	C5	C3	H12	111.531
C5	C4	H10	125.698	H6	C1	H7	107.638
H8	C2	H13	106.967	H9	C3	H12	106.967

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: BLYP/STO-3G

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	-0.128
2	C	-0.133
3	C	-0.133
4	C	-0.083
5	C	-0.083
6	H	0.069
7	H	0.069
8	H	0.071
9	H	0.071
10	H	0.070
11	H	0.070
12	H	0.071
13	H	0.071

	x	y	z	Total
	-0.007	-0.198	0.000	0.198
CHELPG
AIM
ESP

	x	y	z
x	2.725	-0.006	0.000
y	-0.006	4.235	0.000
z	0.000	0.000	5.395

<r²>	108.128
(<r²>)^1/2	10.398

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)