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	hartrees
Energy at 0K	-195.359724
Energy at 298.15K	-195.368637
HF Energy	-195.359724
Nuclear repulsion energy	170.900684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3093	30.53
2	A'	3109	2992	47.94
3	A'	3072	2956	58.39
4	A'	3051	2937	11.79
5	A'	3009	2896	34.27
6	A'	1676	1613	4.62
7	A'	1521	1464	1.13
8	A'	1495	1439	1.49
9	A'	1331	1281	0.48
10	A'	1233	1187	2.12
11	A'	1133	1091	0.18
12	A'	1069	1029	9.38
13	A'	977	940	1.12
14	A'	906	872	0.61
15	A'	822	791	1.19
16	A'	713	686	42.67
17	A'	597	574	11.16
18	A'	148	143	0.27
19	A"	3188	3068	11.53
20	A"	3064	2949	38.74
21	A"	3011	2898	64.91
22	A"	1501	1445	0.77
23	A"	1386	1334	1.27
24	A"	1326	1276	0.38
25	A"	1308	1259	2.09
26	A"	1226	1180	0.02
27	A"	1148	1105	1.75
28	A"	1039	1000	2.02
29	A"	965	929	0.12
30	A"	922	887	8.17
31	A"	891	858	2.37
32	A"	770	741	0.32
33	A"	387	372	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.265	-1.204	0.000
C2	-0.069	-0.329	1.239
C3	-0.069	-0.329	-1.239
C4	-0.069	1.075	0.670
C5	-0.069	1.075	-0.670
H6	1.336	-1.435	0.000
H7	-0.274	-2.156	0.000
H8	-1.055	-0.572	1.660
H9	-1.055	-0.572	-1.660
H10	-0.106	1.962	1.297
H11	-0.106	1.962	-1.297
H12	0.658	-0.459	-2.050
H13	0.658	-0.459	2.050

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5536	1.5536	2.3987	2.3987	1.0953	1.0941	2.2131	2.2131	3.4416	3.4416	2.2165	2.2165
C2	1.5536		2.4783	1.5141	2.3695	2.1753	2.2176	1.0997	3.0718	2.2916	3.4175	3.3710	1.0965
C3	1.5536	2.4783		2.3695	1.5141	2.1753	2.2176	3.0718	1.0997	3.4175	2.2916	1.0965	3.3710
C4	2.3987	1.5141	2.3695		1.3404	2.9530	3.3059	2.1593	3.0186	1.0870	2.1583	3.2061	2.1871
C5	2.3987	2.3695	1.5141	1.3404		2.9530	3.3059	3.0186	2.1593	2.1583	1.0870	2.1871	3.2061
H6	1.0953	2.1753	2.1753	2.9530	2.9530		1.7642	3.0359	3.0359	3.9116	3.9116	2.3697	2.3697
H7	1.0941	2.2176	2.2176	3.3059	3.3059	1.7642		2.4237	2.4237	4.3208	4.3208	2.8200	2.8200
H8	2.2131	1.0997	3.0718	2.1593	3.0186	3.0359	2.4237		3.3194	2.7299	4.0078	4.0877	1.7606
H9	2.2131	3.0718	1.0997	3.0186	2.1593	3.0359	2.4237	3.3194		4.0078	2.7299	1.7606	4.0877
H10	3.4416	2.2916	3.4175	1.0870	2.1583	3.9116	4.3208	2.7299	4.0078		2.5938	4.2007	2.6479
H11	3.4416	3.4175	2.2916	2.1583	1.0870	3.9116	4.3208	4.0078	2.7299	2.5938		2.6479	4.2007
H12	2.2165	3.3710	1.0965	3.2061	2.1871	2.3697	2.8200	4.0877	1.7606	4.2007	2.6479		4.1002
H13	2.2165	1.0965	3.3710	2.1871	3.2061	2.3697	2.8200	1.7606	4.0877	2.6479	4.2007	4.1002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.866	C1	C2	H8	111.905
C1	C2	H13	112.372	C1	C3	C5	102.866
C1	C3	H9	111.905	C1	C3	H12	112.372
C2	C1	C3	105.804	C2	C1	H6	109.193
C2	C1	H7	112.612	C2	C4	C5	112.070
C2	C4	H10	122.679	C3	C1	H6	109.193
C3	C1	H7	112.612	C3	C5	C4	112.070
C3	C5	H11	122.679	C4	C2	H8	110.401
C4	C2	H13	112.834	C4	C5	H11	125.206
C5	C3	H9	110.401	C5	C3	H12	112.834
C5	C4	H10	125.206	H6	C1	H7	107.372
H8	C2	H13	106.571	H9	C3	H12	106.571

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: TPSSh/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	-0.339
2	C	-0.350
3	C	-0.350
4	C	-0.091
5	C	-0.091
6	H	0.162
7	H	0.150
8	H	0.159
9	H	0.159
10	H	0.142
11	H	0.142
12	H	0.153
13	H	0.153

	x	y	z	Total
	-0.079	-0.259	0.000	0.271
CHELPG
AIM
ESP

<r²>	105.491
(<r²>)^1/2	10.271

All results from a given calculation for C5H8 (Cyclopentene)

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

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)