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	hartrees
Energy at 0K	-195.060883
Energy at 298.15K	-195.069684
Nuclear repulsion energy	170.404318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3106	26.15
2	A'	3057	3015	34.28
3	A'	3013	2972	50.88
4	A'	2995	2954	6.77
5	A'	2948	2908	28.81
6	A'	1649	1626	1.90
7	A'	1467	1447	1.17
8	A'	1442	1422	0.99
9	A'	1290	1272	0.32
10	A'	1193	1176	1.27
11	A'	1098	1083	0.15
12	A'	1033	1019	4.29
13	A'	965	952	0.54
14	A'	896	883	0.44
15	A'	802	791	0.23
16	A'	692	683	25.72
17	A'	590	582	11.81
18	A'	142	140	0.26
19	A"	3124	3081	7.18
20	A"	3004	2963	28.51
21	A"	2949	2908	55.17
22	A"	1447	1427	0.83
23	A"	1345	1326	0.65
24	A"	1283	1266	0.34
25	A"	1262	1244	1.53
26	A"	1191	1175	0.03
27	A"	1114	1099	1.32
28	A"	1022	1008	1.98
29	A"	928	916	0.10
30	A"	907	894	8.90
31	A"	872	860	1.30
32	A"	759	748	0.20
33	A"	380	374	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	-1.204	0.000
C2	-0.070	-0.328	1.237
C3	-0.070	-0.328	-1.237
C4	-0.070	1.075	0.672
C5	-0.070	1.075	-0.672
H6	1.351	-1.425	0.000
H7	-0.258	-2.170	0.000
H8	-1.065	-0.575	1.657
H9	-1.065	-0.575	-1.657
H10	-0.111	1.969	1.302
H11	-0.111	1.969	-1.302
H12	0.651	-0.464	-2.063
H13	0.651	-0.464	2.063

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5535	1.5535	2.4004	2.4004	1.1030	1.1013	2.2198	2.2198	3.4510	3.4510	2.2243	2.2243
C2	1.5535		2.4743	1.5126	2.3697	2.1799	2.2266	1.1086	3.0709	2.2987	3.4242	3.3806	1.1046
C3	1.5535	2.4743		2.3697	1.5126	2.1799	2.2266	3.0709	1.1086	3.4242	2.2987	1.1046	3.3806
C4	2.4004	1.5126	2.3697		1.3449	2.9530	3.3192	2.1643	3.0236	1.0941	2.1675	3.2205	2.1961
C5	2.4004	2.3697	1.5126	1.3449		2.9530	3.3192	3.0236	2.1643	2.1675	1.0941	2.1961	3.2205
H6	1.1030	2.1799	2.1799	2.9530	2.9530		1.7738	3.0512	3.0512	3.9182	3.9182	2.3808	2.3808
H7	1.1013	2.2266	2.2266	3.3192	3.3192	1.7738		2.4376	2.4376	4.3414	4.3414	2.8270	2.8270
H8	2.2198	1.1086	3.0709	2.1643	3.0236	3.0512	2.4376		3.3147	2.7405	4.0174	4.0988	1.7674
H9	2.2198	3.0709	1.1086	3.0236	2.1643	3.0512	2.4376	3.3147		4.0174	2.7405	1.7674	4.0988
H10	3.4510	2.2987	3.4242	1.0941	2.1675	3.9182	4.3414	2.7405	4.0174		2.6032	4.2218	2.6614
H11	3.4510	3.4242	2.2987	2.1675	1.0941	3.9182	4.3414	4.0174	2.7405	2.6032		2.6614	4.2218
H12	2.2243	3.3806	1.1046	3.2205	2.1961	2.3808	2.8270	4.0988	1.7674	4.2218	2.6614		4.1259
H13	2.2243	1.1046	3.3806	2.1961	3.2205	2.3808	2.8270	1.7674	4.0988	2.6614	4.2218	4.1259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.043	C1	C2	H8	111.909
C1	C2	H13	112.513	C1	C3	C5	103.043
C1	C3	H9	111.909	C1	C3	H12	112.513
C2	C1	C3	105.569	C2	C1	H6	109.116
C2	C1	H7	112.903	C2	C4	C5	111.921
C2	C4	H10	122.921	C3	C1	H6	109.116
C3	C1	H7	112.903	C3	C5	C4	111.921
C3	C5	H11	122.921	C4	C2	H8	110.365
C4	C2	H13	113.169	C4	C5	H11	125.102
C5	C3	H9	110.365	C5	C3	H12	113.169
C5	C4	H10	125.102	H6	C1	H7	107.167
H8	C2	H13	105.986	H9	C3	H12	105.986

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: PBEPBE/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	-0.240
2	C	-0.252
3	C	-0.252
4	C	-0.075
5	C	-0.075
6	H	0.125
7	H	0.111
8	H	0.122
9	H	0.122
10	H	0.090
11	H	0.090
12	H	0.117
13	H	0.117

	x	y	z	Total
	-0.049	-0.185	0.000	0.192
CHELPG
AIM
ESP

	x	y	z
x	5.551	-0.078	0.000
y	-0.078	7.772	0.000
z	0.000	0.000	9.116

<r²>	105.598
(<r²>)^1/2	10.276

All results from a given calculation for C5H8 (Cyclopentene)

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

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)