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	hartrees
Energy at 0K	-195.291955
Energy at 298.15K	-195.300918
Nuclear repulsion energy	171.611569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3088	23.72
2	A'	3149	2996	36.43
3	A'	3107	2956	48.84
4	A'	3088	2938	10.80
5	A'	3046	2898	26.09
6	A'	1721	1638	1.52
7	A'	1523	1449	1.28
8	A'	1495	1422	1.28
9	A'	1348	1283	0.63
10	A'	1241	1181	1.34
11	A'	1140	1084	0.14
12	A'	1075	1023	5.57
13	A'	997	948	0.87
14	A'	927	882	0.47
15	A'	832	792	0.49
16	A'	723	688	29.71
17	A'	611	581	11.52
18	A'	147	140	0.23
19	A"	3220	3064	6.64
20	A"	3100	2950	25.47
21	A"	3046	2899	58.64
22	A"	1502	1429	1.04
23	A"	1399	1331	1.44
24	A"	1337	1272	0.43
25	A"	1315	1251	1.75
26	A"	1243	1183	0.00
27	A"	1161	1104	1.50
28	A"	1060	1009	1.93
29	A"	981	933	0.12
30	A"	937	892	9.11
31	A"	905	861	1.34
32	A"	785	747	0.24
33	A"	393	374	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	-1.196	0.000
C2	-0.070	-0.327	1.229
C3	-0.070	-0.327	-1.229
C4	-0.070	1.069	0.666
C5	-0.070	1.069	-0.666
H6	1.343	-1.412	0.000
H7	-0.252	-2.155	0.000
H8	-1.057	-0.572	1.644
H9	-1.057	-0.572	-1.644
H10	-0.109	1.956	1.289
H11	-0.109	1.956	-1.289
H12	0.647	-0.461	-2.046
H13	0.647	-0.461	2.046

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5431	1.5431	2.3851	2.3851	1.0937	1.0921	2.2032	2.2032	3.4265	3.4265	2.2069	2.2069
C2	1.5431		2.4582	1.5051	2.3540	2.1640	2.2100	1.0986	3.0476	2.2844	3.3995	3.3556	1.0950
C3	1.5431	2.4582		2.3540	1.5051	2.1640	2.2100	3.0476	1.0986	3.3995	2.2844	1.0950	3.3556
C4	2.3851	1.5051	2.3540		1.3327	2.9316	3.2967	2.1500	3.0005	1.0848	2.1478	3.1955	2.1810
C5	2.3851	2.3540	1.5051	1.3327		2.9316	3.2967	3.0005	2.1500	2.1478	1.0848	2.1810	3.1955
H6	1.0937	2.1640	2.1640	2.9316	2.9316		1.7594	3.0278	3.0278	3.8877	3.8877	2.3619	2.3619
H7	1.0921	2.2100	2.2100	3.2967	3.2967	1.7594		2.4197	2.4197	4.3106	4.3106	2.8047	2.8047
H8	2.2032	1.0986	3.0476	2.1500	3.0005	3.0278	2.4197		3.2873	2.7232	3.9865	4.0660	1.7543
H9	2.2032	3.0476	1.0986	3.0005	2.1500	3.0278	2.4197	3.2873		3.9865	2.7232	1.7543	4.0660
H10	3.4265	2.2844	3.3995	1.0848	2.1478	3.8877	4.3106	2.7232	3.9865		2.5785	4.1878	2.6427
H11	3.4265	3.3995	2.2844	2.1478	1.0848	3.8877	4.3106	3.9865	2.7232	2.5785		2.6427	4.1878
H12	2.2069	3.3556	1.0950	3.1955	2.1810	2.3619	2.8047	4.0660	1.7543	4.1878	2.6427		4.0930
H13	2.2069	1.0950	3.3556	2.1810	3.1955	2.3619	2.8047	1.7543	4.0660	2.6427	4.1878	4.0930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.964	C1	C2	H8	111.926
C1	C2	H13	112.442	C1	C3	C5	102.964
C1	C3	H9	111.926	C1	C3	H12	112.442
C2	C1	C3	105.595	C2	C1	H6	109.120
C2	C1	H7	112.869	C2	C4	C5	111.956
C2	C4	H10	122.948	C3	C1	H6	109.120
C3	C1	H7	112.869	C3	C5	C4	111.956
C3	C5	H11	122.948	C4	C2	H8	110.346
C4	C2	H13	113.081	C4	C5	H11	125.046
C5	C3	H9	110.346	C5	C3	H12	113.081
C5	C4	H10	125.046	H6	C1	H7	107.201
H8	C2	H13	106.213	H9	C3	H12	106.213

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: mPW1PW91/6-31G**

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	-0.269
2	C	-0.278
3	C	-0.278
4	C	-0.104
5	C	-0.104
6	H	0.139
7	H	0.127
8	H	0.136
9	H	0.136
10	H	0.116
11	H	0.116
12	H	0.132
13	H	0.132

	x	y	z	Total
	-0.048	-0.166	0.000	0.173
CHELPG
AIM
ESP

<r²>	104.274
(<r²>)^1/2	10.211

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)