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	hartrees
Energy at 0K	-194.152745
Energy at 298.15K	-194.161708
Nuclear repulsion energy	170.887067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3107	18.23
2	A'	3161	3024	27.98
3	A'	3119	2984	33.88
4	A'	3097	2963	9.74
5	A'	3057	2924	17.68
6	A'	1696	1623	0.36
7	A'	1547	1480	3.32
8	A'	1524	1458	2.45
9	A'	1334	1277	4.72
10	A'	1270	1215	1.50
11	A'	1161	1111	0.12
12	A'	1078	1032	4.99
13	A'	977	935	1.55
14	A'	909	870	0.82
15	A'	835	799	0.22
16	A'	729	698	44.05
17	A'	609	582	16.91
18	A'	139	133	0.19
19	A"	3218	3079	4.02
20	A"	3113	2979	17.75
21	A"	3058	2925	40.40
22	A"	1530	1464	3.80
23	A"	1394	1334	3.15
24	A"	1355	1296	0.56
25	A"	1340	1282	4.42
26	A"	1235	1181	0.02
27	A"	1199	1147	1.82
28	A"	1049	1004	1.01
29	A"	995	952	0.08
30	A"	921	881	5.40
31	A"	897	858	4.51
32	A"	795	761	0.37
33	A"	389	372	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	-1.202	0.000
C2	-0.076	-0.331	1.237
C3	-0.076	-0.331	-1.237
C4	-0.076	1.075	0.666
C5	-0.076	1.075	-0.666
H6	1.374	-1.373	0.000
H7	-0.216	-2.167	0.000
H8	-1.073	-0.585	1.619
H9	-1.073	-0.585	-1.619
H10	-0.114	1.956	1.293
H11	-0.114	1.956	-1.293
H12	0.640	-0.457	-2.054
H13	0.640	-0.457	2.054

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5570	1.5570	2.4010	2.4010	1.0934	1.0913	2.2069	2.2069	3.4368	3.4368	2.2125	2.2125
C2	1.5570		2.4737	1.5176	2.3664	2.1718	2.2178	1.0977	3.0356	2.2885	3.4112	3.3706	1.0938
C3	1.5570	2.4737		2.3664	1.5176	2.1718	2.2178	3.0356	1.0977	3.4112	2.2885	1.0938	3.3706
C4	2.4010	1.5176	2.3664		1.3327	2.9222	3.3125	2.1581	2.9954	1.0822	2.1491	3.2034	2.1877
C5	2.4010	2.3664	1.5176	1.3327		2.9222	3.3125	2.9954	2.1581	2.1491	1.0822	2.1877	3.2034
H6	1.0934	2.1718	2.1718	2.9222	2.9222		1.7765	3.0380	3.0380	3.8691	3.8691	2.3662	2.3662
H7	1.0913	2.2178	2.2178	3.3125	3.3125	1.7765		2.4205	2.4205	4.3223	4.3223	2.8065	2.8065
H8	2.2069	1.0977	3.0356	2.1581	2.9954	3.0380	2.4205		3.2380	2.7357	3.9825	4.0552	1.7721
H9	2.2069	3.0356	1.0977	2.9954	2.1581	3.0380	2.4205	3.2380		3.9825	2.7357	1.7721	4.0552
H10	3.4368	2.2885	3.4112	1.0822	2.1491	3.8691	4.3223	2.7357	3.9825		2.5869	4.1951	2.6401
H11	3.4368	3.4112	2.2885	2.1491	1.0822	3.8691	4.3223	3.9825	2.7357	2.5869		2.6401	4.1951
H12	2.2125	3.3706	1.0938	3.2034	2.1877	2.3662	2.8065	4.0552	1.7721	4.1951	2.6401		4.1089
H13	2.2125	1.0938	3.3706	2.1877	3.2034	2.3662	2.8065	1.7721	4.0552	2.6401	4.1951	4.1089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.677	C1	C2	H8	111.291
C1	C2	H13	111.972	C1	C3	C5	102.677
C1	C3	H9	111.291	C1	C3	H12	111.972
C2	C1	C3	105.193	C2	C1	H6	108.794
C2	C1	H7	112.554	C2	C4	C5	112.081
C2	C4	H10	122.460	C3	C1	H6	108.794
C3	C1	H7	112.554	C3	C5	C4	112.081
C3	C5	H11	122.460	C4	C2	H8	110.181
C4	C2	H13	112.795	C4	C5	H11	125.412
C5	C3	H9	110.181	C5	C3	H12	112.795
C5	C4	H10	125.412	H6	C1	H7	108.811
H8	C2	H13	107.921	H9	C3	H12	107.921

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B1B95/3-21G

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	-0.420
2	C	-0.454
3	C	-0.454
4	C	-0.186
5	C	-0.186
6	H	0.222
7	H	0.209
8	H	0.221
9	H	0.221
10	H	0.199
11	H	0.199
12	H	0.215
13	H	0.215

	x	y	z	Total
	-0.061	-0.168	0.000	0.179
CHELPG
AIM
ESP

	x	y	z
x	4.944	-0.060	0.000
y	-0.060	6.953	0.000
z	0.000	0.000	8.379

<r²>	105.034
(<r²>)^1/2	10.249

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)