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	hartrees
Energy at 0K	-195.212190
Energy at 298.15K	-195.221010
HF Energy	-195.212190
Nuclear repulsion energy	170.414617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3105	34.39
2	A'	3058	3006	49.56
3	A'	3018	2966	63.93
4	A'	2997	2946	12.06
5	A'	2954	2903	37.28
6	A'	1637	1609	4.93
7	A'	1480	1455	1.61
8	A'	1455	1430	1.56
9	A'	1297	1275	0.52
10	A'	1204	1184	1.93
11	A'	1106	1087	0.23
12	A'	1045	1027	7.67
13	A'	957	940	0.99
14	A'	886	871	0.68
15	A'	808	794	0.56
16	A'	690	678	39.40
17	A'	593	582	14.99
18	A'	143	141	0.28
19	A"	3134	3080	12.58
20	A"	3010	2958	40.55
21	A"	2955	2904	72.46
22	A"	1460	1435	1.30
23	A"	1350	1327	1.02
24	A"	1293	1271	0.41
25	A"	1276	1254	1.97
26	A"	1195	1175	0.02
27	A"	1125	1105	1.72
28	A"	1017	999	2.00
29	A"	929	913	0.04
30	A"	902	886	7.75
31	A"	874	859	3.66
32	A"	763	750	0.33
33	A"	380	374	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	-1.204	0.000
C2	-0.072	-0.330	1.237
C3	-0.072	-0.330	-1.237
C4	-0.072	1.076	0.673
C5	-0.072	1.076	-0.673
H6	1.360	-1.410	0.000
H7	-0.240	-2.171	0.000
H8	-1.068	-0.579	1.644
H9	-1.068	-0.579	-1.644
H10	-0.113	1.967	1.299
H11	-0.113	1.967	-1.299
H12	0.643	-0.462	-2.064
H13	0.643	-0.462	2.064

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5555	1.5555	2.4036	2.4036	1.0994	1.0977	2.2163	2.2163	3.4499	3.4499	2.2227	2.2227
C2	1.5555		2.4748	1.5154	2.3718	2.1791	2.2247	1.1046	3.0594	2.2984	3.4226	3.3801	1.1005
C3	1.5555	2.4748		2.3718	1.5154	2.1791	2.2247	3.0594	1.1046	3.4226	2.2984	1.1005	3.3801
C4	2.4036	1.5154	2.3718		1.3452	2.9471	3.3206	2.1629	3.0170	1.0902	2.1643	3.2195	2.1940
C5	2.4036	2.3718	1.5154	1.3452		2.9471	3.3206	3.0170	2.1629	2.1643	1.0902	2.1940	3.2195
H6	1.0994	2.1791	2.1791	2.9471	2.9471		1.7714	3.0479	3.0479	3.9073	3.9073	2.3814	2.3814
H7	1.0977	2.2247	2.2247	3.3206	3.3206	1.7714		2.4340	2.4340	4.3395	4.3395	2.8209	2.8209
H8	2.2163	1.1046	3.0594	2.1629	3.0170	3.0479	2.4340		3.2889	2.7415	4.0079	4.0855	1.7654
H9	2.2163	3.0594	1.1046	3.0170	2.1629	3.0479	2.4340	3.2889		4.0079	2.7415	1.7654	4.0855
H10	3.4499	2.2984	3.4226	1.0902	2.1643	3.9073	4.3395	2.7415	4.0079		2.5988	4.2173	2.6570
H11	3.4499	3.4226	2.2984	2.1643	1.0902	3.9073	4.3395	4.0079	2.7415	2.5988		2.6570	4.2173
H12	2.2227	3.3801	1.1005	3.2195	2.1940	2.3814	2.8209	4.0855	1.7654	4.2173	2.6570		4.1273
H13	2.2227	1.1005	3.3801	2.1940	3.2195	2.3814	2.8209	1.7654	4.0855	2.6570	4.2173	4.1273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.070	C1	C2	H8	111.719
C1	C2	H13	112.502	C1	C3	C5	103.070
C1	C3	H9	111.719	C1	C3	H12	112.502
C2	C1	C3	105.423	C2	C1	H6	109.060
C2	C1	H7	112.937	C2	C4	C5	111.868
C2	C4	H10	122.984	C3	C1	H6	109.060
C3	C1	H7	112.937	C3	C5	C4	111.868
C3	C5	H11	122.984	C4	C2	H8	110.272
C4	C2	H13	113.069	C4	C5	H11	125.099
C5	C3	H9	110.272	C5	C3	H12	113.069
C5	C4	H10	125.099	H6	C1	H7	107.346
H8	C2	H13	106.326	H9	C3	H12	106.326

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B97D3/6-31+G**

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	-0.325
2	C	-0.351
3	C	-0.351
4	C	-0.074
5	C	-0.074
6	H	0.158
7	H	0.146
8	H	0.156
9	H	0.156
10	H	0.130
11	H	0.130
12	H	0.150
13	H	0.150

	x	y	z	Total
	-0.082	-0.268	0.000	0.281
CHELPG
AIM
ESP

	x	y	z
x	6.888	-0.094	0.000
y	-0.094	8.736	0.000
z	0.000	0.000	10.132

<r²>	106.107
(<r²>)^1/2	10.301

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)