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	hartrees
Energy at 0K	-194.219574
Energy at 298.15K	-194.228559
Nuclear repulsion energy	170.673714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3110	17.43
2	A'	3165	3021	27.36
3	A'	3123	2981	33.34
4	A'	3102	2961	10.01
5	A'	3063	2924	15.85
6	A'	1702	1625	0.29
7	A'	1557	1486	3.73
8	A'	1533	1463	2.23
9	A'	1343	1282	5.36
10	A'	1278	1220	1.41
11	A'	1168	1115	0.11
12	A'	1086	1037	5.22
13	A'	982	938	1.68
14	A'	911	870	0.83
15	A'	837	799	0.30
16	A'	736	703	44.45
17	A'	624	596	19.53
18	A'	133	127	0.20
19	A"	3228	3081	3.85
20	A"	3117	2976	15.96
21	A"	3064	2925	42.83
22	A"	1539	1469	4.21
23	A"	1402	1338	3.56
24	A"	1363	1301	1.13
25	A"	1347	1286	4.10
26	A"	1247	1190	0.01
27	A"	1209	1154	1.71
28	A"	1055	1007	1.05
29	A"	1003	958	0.06
30	A"	927	885	4.66
31	A"	902	861	5.85
32	A"	804	768	0.48
33	A"	392	374	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	-1.210	0.000
C2	-0.070	-0.329	1.240
C3	-0.070	-0.329	-1.240
C4	-0.070	1.077	0.667
C5	-0.070	1.077	-0.667
H6	1.344	-1.424	0.000
H7	-0.274	-2.157	0.000
H8	-1.062	-0.574	1.644
H9	-1.062	-0.574	-1.644
H10	-0.105	1.959	1.294
H11	-0.105	1.959	-1.294
H12	0.661	-0.456	-2.045
H13	0.661	-0.456	2.045

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5591	1.5591	2.4070	2.4070	1.0941	1.0922	2.2099	2.2099	3.4441	3.4441	2.2143	2.2143
C2	1.5591		2.4799	1.5184	2.3690	2.1761	2.2183	1.0984	3.0596	2.2891	3.4140	3.3676	1.0949
C3	1.5591	2.4799		2.3690	1.5184	2.1761	2.2183	3.0596	1.0984	3.4140	2.2891	1.0949	3.3676
C4	2.4070	1.5184	2.3690		1.3334	2.9492	3.3084	2.1598	3.0083	1.0827	2.1498	3.1996	2.1873
C5	2.4070	2.3690	1.5184	1.3334		2.9492	3.3084	3.0083	2.1598	2.1498	1.0827	2.1873	3.1996
H6	1.0941	2.1761	2.1761	2.9492	2.9492		1.7765	3.0351	3.0351	3.9008	3.9008	2.3631	2.3631
H7	1.0922	2.2183	2.2183	3.3084	3.3084	1.7765		2.4144	2.4144	4.3181	4.3181	2.8196	2.8196
H8	2.2099	1.0984	3.0596	2.1598	3.0083	3.0351	2.4144		3.2884	2.7306	3.9954	4.0732	1.7726
H9	2.2099	3.0596	1.0984	3.0083	2.1598	3.0351	2.4144	3.2884		3.9954	2.7306	1.7726	4.0732
H10	3.4441	2.2891	3.4140	1.0827	2.1498	3.9008	4.3181	2.7306	3.9954		2.5870	4.1910	2.6428
H11	3.4441	3.4140	2.2891	2.1498	1.0827	3.9008	4.3181	3.9954	2.7306	2.5870		2.6428	4.1910
H12	2.2143	3.3676	1.0949	3.1996	2.1873	2.3631	2.8196	4.0732	1.7726	4.1910	2.6428		4.0897
H13	2.2143	1.0949	3.3676	2.1873	3.1996	2.3631	2.8196	1.7726	4.0732	2.6428	4.1910	4.0897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.906	C1	C2	H8	111.338
C1	C2	H13	111.908	C1	C3	C5	102.906
C1	C3	H9	111.338	C1	C3	H12	111.908
C2	C1	C3	105.367	C2	C1	H6	108.941
C2	C1	H7	112.393	C2	C4	C5	112.179
C2	C4	H10	122.407	C3	C1	H6	108.941
C3	C1	H7	112.393	C3	C5	C4	112.179
C3	C5	H11	122.407	C4	C2	H8	110.215
C4	C2	H13	112.638	C4	C5	H11	125.374
C5	C3	H9	110.215	C5	C3	H12	112.638
C5	C4	H10	125.374	H6	C1	H7	108.693
H8	C2	H13	107.843	H9	C3	H12	107.843

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: mPW1PW91/3-21G

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	-0.433
2	C	-0.470
3	C	-0.470
4	C	-0.194
5	C	-0.194
6	H	0.228
7	H	0.217
8	H	0.228
9	H	0.228
10	H	0.208
11	H	0.208
12	H	0.222
13	H	0.222

	x	y	z	Total
	-0.057	-0.173	0.000	0.182
CHELPG
AIM
ESP

<r²>	105.328
(<r²>)^1/2	10.263

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)