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	hartrees
Energy at 0K	-194.205100
Energy at 298.15K	-194.214099
HF Energy	-194.205100
Nuclear repulsion energy	170.521580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3092	15.37
2	A'	3177	3011	28.45
3	A'	3136	2972	31.51
4	A'	3114	2952	12.17
5	A'	3086	2925	11.19
6	A'	1718	1628	0.22
7	A'	1567	1485	4.25
8	A'	1542	1461	2.38
9	A'	1351	1280	6.61
10	A'	1283	1216	1.42
11	A'	1169	1108	0.11
12	A'	1095	1038	5.50
13	A'	979	928	1.94
14	A'	909	861	0.92
15	A'	842	798	0.41
16	A'	742	703	44.56
17	A'	636	603	19.68
18	A'	138	131	0.19
19	A"	3233	3064	3.00
20	A"	3132	2969	9.25
21	A"	3086	2925	45.94
22	A"	1548	1467	5.19
23	A"	1404	1330	4.55
24	A"	1366	1294	2.13
25	A"	1351	1281	2.66
26	A"	1255	1190	0.00
27	A"	1216	1153	1.65
28	A"	1054	999	0.92
29	A"	1018	964	0.02
30	A"	931	882	2.84
31	A"	902	855	7.86
32	A"	806	764	0.51
33	A"	393	373	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	-1.213	0.000
C2	-0.071	-0.330	1.238
C3	-0.071	-0.330	-1.238
C4	-0.071	1.080	0.666
C5	-0.071	1.080	-0.666
H6	1.346	-1.423	0.000
H7	-0.265	-2.164	0.000
H8	-1.063	-0.573	1.641
H9	-1.063	-0.573	-1.641
H10	-0.100	1.964	1.289
H11	-0.100	1.964	-1.289
H12	0.655	-0.459	-2.047
H13	0.655	-0.459	2.047

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5585	1.5585	2.4114	2.4114	1.0945	1.0928	2.2098	2.2098	3.4482	3.4482	2.2152	2.2152
C2	1.5585		2.4753	1.5206	2.3685	2.1759	2.2218	1.0984	3.0547	2.2942	3.4125	3.3667	1.0951
C3	1.5585	2.4753		2.3685	1.5206	2.1759	2.2218	3.0547	1.0984	3.4125	2.2942	1.0951	3.3667
C4	2.4114	1.5206	2.3685		1.3323	2.9519	3.3174	2.1603	3.0066	1.0821	2.1461	3.2025	2.1910
C5	2.4114	2.3685	1.5206	1.3323		2.9519	3.3174	3.0066	2.1603	2.1461	1.0821	2.1910	3.2025
H6	1.0945	2.1759	2.1759	2.9519	2.9519		1.7733	3.0360	3.0360	3.9019	3.9019	2.3662	2.3662
H7	1.0928	2.2218	2.2218	3.3174	3.3174	1.7733		2.4210	2.4210	4.3280	4.3280	2.8193	2.8193
H8	2.2098	1.0984	3.0547	2.1603	3.0066	3.0360	2.4210		3.2822	2.7364	3.9937	4.0706	1.7692
H9	2.2098	3.0547	1.0984	3.0066	2.1603	3.0360	2.4210	3.2822		3.9937	2.7364	1.7692	4.0706
H10	3.4482	2.2942	3.4125	1.0821	2.1461	3.9019	4.3280	2.7364	3.9937		2.5781	4.1917	2.6484
H11	3.4482	3.4125	2.2942	2.1461	1.0821	3.9019	4.3280	3.9937	2.7364	2.5781		2.6484	4.1917
H12	2.2152	3.3667	1.0951	3.2025	2.1910	2.3662	2.8193	4.0706	1.7692	4.1917	2.6484		4.0947
H13	2.2152	1.0951	3.3667	2.1910	3.2025	2.3662	2.8193	1.7692	4.0706	2.6484	4.1917	4.0947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.095	C1	C2	H8	111.373
C1	C2	H13	112.008	C1	C3	C5	103.095
C1	C3	H9	111.373	C1	C3	H12	112.008
C2	C1	C3	105.149	C2	C1	H6	108.945
C2	C1	H7	112.679	C2	C4	C5	112.077
C2	C4	H10	122.749	C3	C1	H6	108.945
C3	C1	H7	112.679	C3	C5	C4	112.077
C3	C5	H11	122.749	C4	C2	H8	110.104
C4	C2	H13	112.772	C4	C5	H11	125.145
C5	C3	H9	110.104	C5	C3	H12	112.772
C5	C4	H10	125.145	H6	C1	H7	108.331
H8	C2	H13	107.521	H9	C3	H12	107.521

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: wB97X-D/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	-0.455
3	C	-0.455
4	C	-0.196
5	C	-0.196
6	H	0.221
7	H	0.211
8	H	0.221
9	H	0.221
10	H	0.207
11	H	0.207
12	H	0.216
13	H	0.216

	x	y	z	Total
	-0.053	-0.168	0.000	0.176
CHELPG
AIM
ESP

	x	y	z
x	4.929	-0.046	0.000
y	-0.046	6.832	0.000
z	0.000	0.000	8.336

<r²>	105.479
(<r²>)^1/2	10.270

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)