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	hartrees
Energy at 0K	-195.227828
Energy at 298.15K	-195.236776
Nuclear repulsion energy	171.887413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3088	25.09
2	A'	3140	2999	36.53
3	A'	3099	2959	48.11
4	A'	3080	2941	10.44
5	A'	3035	2898	28.58
6	A'	1717	1640	1.62
7	A'	1512	1444	1.05
8	A'	1485	1418	1.36
9	A'	1340	1279	0.44
10	A'	1233	1178	1.34
11	A'	1132	1081	0.14
12	A'	1067	1018	5.23
13	A'	995	950	0.74
14	A'	928	886	0.42
15	A'	830	793	0.42
16	A'	718	685	28.47
17	A'	597	570	9.72
18	A'	156	149	0.23
19	A"	3209	3064	6.90
20	A"	3093	2953	28.25
21	A"	3036	2899	54.40
22	A"	1492	1424	0.82
23	A"	1392	1329	1.09
24	A"	1332	1271	0.53
25	A"	1304	1245	1.50
26	A"	1233	1178	0.00
27	A"	1151	1099	1.59
28	A"	1055	1008	1.95
29	A"	974	930	0.14
30	A"	936	894	8.82
31	A"	898	858	0.92
32	A"	776	741	0.19
33	A"	391	374	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.291	-1.187	0.000
C2	-0.075	-0.329	1.225
C3	-0.075	-0.329	-1.225
C4	-0.075	1.066	0.666
C5	-0.075	1.066	-0.666
H6	1.370	-1.365	0.000
H7	-0.198	-2.163	0.000
H8	-1.068	-0.582	1.620
H9	-1.068	-0.582	-1.620
H10	-0.117	1.953	1.289
H11	-0.117	1.953	-1.289
H12	0.627	-0.463	-2.055
H13	0.627	-0.463	2.055

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5398	1.5398	2.3776	2.3776	1.0933	1.0917	2.1998	2.1998	3.4185	3.4185	2.2044	2.2044
C2	1.5398		2.4506	1.5030	2.3503	2.1590	2.2087	1.0984	3.0244	2.2833	3.3959	3.3568	1.0944
C3	1.5398	2.4506		2.3503	1.5030	2.1590	2.2087	3.0244	1.0984	3.3959	2.2833	1.0944	3.3568
C4	2.3776	1.5030	2.3503		1.3322	2.9052	3.2990	2.1474	2.9880	1.0847	2.1474	3.1985	2.1808
C5	2.3776	2.3503	1.5030	1.3322		2.9052	3.2990	2.9880	2.1474	2.1474	1.0847	2.1808	3.1985
H6	1.0933	2.1590	2.1590	2.9052	2.9052		1.7595	3.0303	3.0303	3.8576	3.8576	2.3641	2.3641
H7	1.0917	2.2087	2.2087	3.2990	3.2990	1.7595		2.4251	2.4251	4.3135	4.3135	2.7918	2.7918
H8	2.1998	1.0984	3.0244	2.1474	2.9880	3.0303	2.4251		3.2402	2.7272	3.9738	4.0486	1.7539
H9	2.1998	3.0244	1.0984	2.9880	2.1474	3.0303	2.4251	3.2402		3.9738	2.7272	1.7539	4.0486
H10	3.4185	2.2833	3.3959	1.0847	2.1474	3.8576	4.3135	2.7272	3.9738		2.5782	4.1913	2.6405
H11	3.4185	3.3959	2.2833	2.1474	1.0847	3.8576	4.3135	3.9738	2.7272	2.5782		2.6405	4.1913
H12	2.2044	3.3568	1.0944	3.1985	2.1808	2.3641	2.7918	4.0486	1.7539	4.1913	2.6405		4.1094
H13	2.2044	1.0944	3.3568	2.1808	3.1985	2.3641	2.7918	1.7539	4.0486	2.6405	4.1913	4.1094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.766	C1	C2	H8	111.899
C1	C2	H13	112.517	C1	C3	C5	102.766
C1	C3	H9	111.899	C1	C3	H12	112.517
C2	C1	C3	105.455	C2	C1	H6	108.978
C2	C1	H7	113.037	C2	C4	C5	111.842
C2	C4	H10	123.043	C3	C1	H6	108.978
C3	C1	H7	113.037	C3	C5	C4	111.842
C3	C5	H11	123.043	C4	C2	H8	110.305
C4	C2	H13	113.255	C4	C5	H11	125.056
C5	C3	H9	110.305	C5	C3	H12	113.255
C5	C4	H10	125.056	H6	C1	H7	107.267
H8	C2	H13	106.228	H9	C3	H12	106.228

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B1B95/6-31G**

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	-0.248
2	C	-0.254
3	C	-0.254
4	C	-0.091
5	C	-0.091
6	H	0.128
7	H	0.115
8	H	0.125
9	H	0.125
10	H	0.102
11	H	0.102
12	H	0.120
13	H	0.120

	x	y	z	Total
	-0.052	-0.161	0.000	0.169
CHELPG
AIM
ESP

	x	y	z
x	5.439	-0.081	0.000
y	-0.081	7.497	0.000
z	0.000	0.000	8.867

<r²>	103.950
(<r²>)^1/2	10.196

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)