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	hartrees
Energy at 0K	-194.000410
Energy at 298.15K	-194.009631
Nuclear repulsion energy	171.994314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3353	3036	29.64
2	A'	3237	2931	67.41
3	A'	3204	2901	68.60
4	A'	3182	2881	11.90
5	A'	3153	2855	32.77
6	A'	1838	1665	1.30
7	A'	1636	1482	0.18
8	A'	1606	1454	0.65
9	A'	1460	1322	0.06
10	A'	1338	1211	1.62
11	A'	1221	1106	0.08
12	A'	1172	1061	9.32
13	A'	1031	934	1.27
14	A'	959	869	0.43
15	A'	885	801	2.12
16	A'	788	714	27.92
17	A'	659	597	6.69
18	A'	151	137	0.09
19	A"	3324	3010	10.74
20	A"	3195	2893	38.27
21	A"	3153	2855	78.09
22	A"	1616	1463	0.00
23	A"	1502	1360	1.84
24	A"	1440	1304	1.41
25	A"	1424	1290	1.53
26	A"	1339	1212	0.01
27	A"	1249	1131	1.72
28	A"	1109	1004	1.96
29	A"	1092	989	0.00
30	A"	980	888	2.87
31	A"	955	865	4.84
32	A"	834	756	0.29
33	A"	422	382	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.258	-1.202	0.000
C2	-0.067	-0.326	1.231
C3	-0.067	-0.326	-1.231
C4	-0.067	1.071	0.658
C5	-0.067	1.071	-0.658
H6	1.317	-1.440	0.000
H7	-0.282	-2.142	0.000
H8	-1.042	-0.565	1.654
H9	-1.042	-0.565	-1.654
H10	-0.100	1.951	1.276
H11	-0.100	1.951	-1.276
H12	0.657	-0.455	-2.030
H13	0.657	-0.455	2.030

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5451	1.5451	2.3889	2.3889	1.0853	1.0841	2.1982	2.1982	3.4202	3.4202	2.1998	2.1998
C2	1.5451		2.4611	1.5101	2.3492	2.1609	2.2042	1.0892	3.0540	2.2777	3.3865	3.3426	1.0864
C3	1.5451	2.4611		2.3492	1.5101	2.1609	2.2042	3.0540	1.0892	3.3865	2.2777	1.0864	3.3426
C4	2.3889	1.5101	2.3492		1.3158	2.9414	3.2871	2.1489	2.9950	1.0756	2.1249	3.1747	2.1763
C5	2.3889	2.3492	1.5101	1.3158		2.9414	3.2871	2.9950	2.1489	2.1249	1.0756	2.1763	3.1747
H6	1.0853	2.1609	2.1609	2.9414	2.9414		1.7468	3.0110	3.0110	3.8896	3.8896	2.3508	2.3508
H7	1.0841	2.2042	2.2042	3.2871	3.2871	1.7468		2.4087	2.4087	4.2912	4.2912	2.8018	2.8018
H8	2.1982	1.0892	3.0540	2.1489	2.9950	3.0110	2.4087		3.3077	2.7125	3.9748	4.0583	1.7436
H9	2.1982	3.0540	1.0892	2.9950	2.1489	3.0110	2.4087	3.3077		3.9748	2.7125	1.7436	4.0583
H10	3.4202	2.2777	3.3865	1.0756	2.1249	3.8896	4.2912	2.7125	3.9748		2.5521	4.1583	2.6323
H11	3.4202	3.3865	2.2777	2.1249	1.0756	3.8896	4.2912	3.9748	2.7125	2.5521		2.6323	4.1583
H12	2.1998	3.3426	1.0864	3.1747	2.1763	2.3508	2.8018	4.0583	1.7436	4.1583	2.6323		4.0603
H13	2.1998	1.0864	3.3426	2.1763	3.1747	2.3508	2.8018	1.7436	4.0583	2.6323	4.1583	4.0603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.864	C1	C2	H8	111.952
C1	C2	H13	112.252	C1	C3	C5	102.864
C1	C3	H9	111.952	C1	C3	H12	112.252
C2	C1	C3	105.575	C2	C1	H6	109.225
C2	C1	H7	112.753	C2	C4	C5	112.283
C2	C4	H10	122.606	C3	C1	H6	109.225
C3	C1	H7	112.753	C3	C5	C4	112.283
C3	C5	H11	122.606	C4	C2	H8	110.478
C4	C2	H13	112.877	C4	C5	H11	125.075
C5	C3	H9	110.478	C5	C3	H12	112.877
C5	C4	H10	125.075	H6	C1	H7	107.257
H8	C2	H13	106.532	H9	C3	H12	106.532

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: HF/6-31G(2df,p)

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	-0.244
2	C	-0.259
3	C	-0.259
4	C	-0.131
5	C	-0.131
6	H	0.128
7	H	0.124
8	H	0.126
9	H	0.126
10	H	0.135
11	H	0.135
12	H	0.125
13	H	0.125

	x	y	z	Total
	-0.035	-0.092	0.000	0.098
CHELPG
AIM
ESP

	x	y	z
x	5.528	-0.081	0.000
y	-0.081	7.261	0.000
z	0.000	0.000	8.808

<r²>	104.320
(<r²>)^1/2	10.214

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)