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	hartrees
Energy at 0K	-195.049828
Energy at 298.15K	-195.058635
HF Energy	-195.049828
Nuclear repulsion energy	170.347920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3094	28.89
2	A'	3053	3003	36.82
3	A'	3011	2961	53.78
4	A'	2992	2943	5.81
5	A'	2946	2898	30.97
6	A'	1651	1624	1.77
7	A'	1485	1461	1.20
8	A'	1460	1436	1.07
9	A'	1300	1278	0.28
10	A'	1203	1183	1.25
11	A'	1102	1084	0.16
12	A'	1042	1025	4.12
13	A'	968	952	0.59
14	A'	899	884	0.45
15	A'	807	794	0.20
16	A'	693	681	26.79
17	A'	592	582	12.27
18	A'	146	143	0.25
19	A"	3121	3069	8.78
20	A"	3001	2951	31.46
21	A"	2947	2898	55.29
22	A"	1466	1442	0.79
23	A"	1352	1330	0.70
24	A"	1294	1273	0.45
25	A"	1271	1250	1.72
26	A"	1196	1176	0.03
27	A"	1123	1104	1.40
28	A"	1028	1011	1.77
29	A"	926	911	0.08
30	A"	909	894	8.38
31	A"	878	864	1.63
32	A"	760	747	0.18
33	A"	382	375	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.261	-1.207	0.000
C2	-0.068	-0.328	1.242
C3	-0.068	-0.328	-1.242
C4	-0.068	1.077	0.673
C5	-0.068	1.077	-0.673
H6	1.338	-1.447	0.000
H7	-0.285	-2.164	0.000
H8	-1.060	-0.572	1.670
H9	-1.060	-0.572	-1.670
H10	-0.104	1.970	1.306
H11	-0.104	1.970	-1.306
H12	0.664	-0.462	-2.059
H13	0.664	-0.462	2.059

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5564	1.5564	2.4034	2.4034	1.1032	1.1020	2.2223	2.2223	3.4543	3.4543	2.2262	2.2262
C2	1.5564		2.4833	1.5159	2.3745	2.1837	2.2269	1.1081	3.0859	2.2994	3.4309	3.3831	1.1049
C3	1.5564	2.4833		2.3745	1.5159	2.1837	2.2269	3.0859	1.1081	3.4309	2.2994	1.1049	3.3831
C4	2.4034	1.5159	2.3745		1.3450	2.9658	3.3169	2.1674	3.0315	1.0954	2.1707	3.2190	2.1964
C5	2.4034	2.3745	1.5159	1.3450		2.9658	3.3169	3.0315	2.1674	2.1707	1.0954	2.1964	3.2190
H6	1.1032	2.1837	2.1837	2.9658	2.9658		1.7750	3.0505	3.0505	3.9317	3.9317	2.3796	2.3796
H7	1.1020	2.2269	2.2269	3.3169	3.3169	1.7750		2.4340	2.4340	4.3390	4.3390	2.8350	2.8350
H8	2.2223	1.1081	3.0859	2.1674	3.0315	3.0505	2.4340		3.3401	2.7398	4.0284	4.1096	1.7708
H9	2.2223	3.0859	1.1081	3.0315	2.1674	3.0505	2.4340	3.3401		4.0284	2.7398	1.7708	4.1096
H10	3.4543	2.2994	3.4309	1.0954	2.1707	3.9317	4.3390	2.7398	4.0284		2.6110	4.2216	2.6593
H11	3.4543	3.4309	2.2994	2.1707	1.0954	3.9317	4.3390	4.0284	2.7398	2.6110		2.6593	4.2216
H12	2.2262	3.3831	1.1049	3.2190	2.1964	2.3796	2.8350	4.1096	1.7708	4.2216	2.6593		4.1174
H13	2.2262	1.1049	3.3831	2.1964	3.2190	2.3796	2.8350	1.7708	4.1096	2.6593	4.2216	4.1174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.935	C1	C2	H8	111.936
C1	C2	H13	112.443	C1	C3	C5	102.935
C1	C3	H9	111.936	C1	C3	H12	112.443
C2	C1	C3	105.841	C2	C1	H6	109.197
C2	C1	H7	112.676	C2	C4	C5	112.053
C2	C4	H10	122.603	C3	C1	H6	109.197
C3	C1	H7	112.676	C3	C5	C4	112.053
C3	C5	H11	122.603	C4	C2	H8	110.414
C4	C2	H13	112.938	C4	C5	H11	125.300
C5	C3	H9	110.414	C5	C3	H12	112.938
C5	C4	H10	125.300	H6	C1	H7	107.201
H8	C2	H13	106.302	H9	C3	H12	106.302

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: PBEPBEultrafine/6-31G*

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	-0.311
2	C	-0.333
3	C	-0.333
4	C	-0.108
5	C	-0.108
6	H	0.159
7	H	0.149
8	H	0.158
9	H	0.158
10	H	0.130
11	H	0.130
12	H	0.154
13	H	0.154

	x	y	z	Total
	-0.050	-0.171	0.000	0.178
CHELPG
AIM
ESP

	x	y	z
x	5.483	-0.074	-0.004
y	-0.074	7.684	-0.001
z	-0.004	-0.001	9.029

<r²>	105.640
(<r²>)^1/2	10.278

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)