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	hartrees
Energy at 0K	-195.294657
Energy at 298.15K	-195.303606
Nuclear repulsion energy	171.529242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3083	29.77
2	A'	3108	2992	49.05
3	A'	3071	2956	60.75
4	A'	3050	2936	8.24
5	A'	3010	2898	34.70
6	A'	1693	1630	1.76
7	A'	1517	1461	2.92
8	A'	1490	1435	2.17
9	A'	1335	1286	1.52
10	A'	1240	1194	1.55
11	A'	1130	1088	0.19
12	A'	1070	1030	6.90
13	A'	986	950	1.31
14	A'	920	885	0.68
15	A'	827	797	0.56
16	A'	712	686	38.94
17	A'	610	587	14.37
18	A'	149	144	0.24
19	A"	3176	3058	11.31
20	A"	3061	2947	36.96
21	A"	3012	2899	61.75
22	A"	1497	1441	3.00
23	A"	1385	1334	2.34
24	A"	1330	1281	0.35
25	A"	1309	1260	2.24
26	A"	1235	1189	0.00
27	A"	1163	1119	1.69
28	A"	1050	1011	1.88
29	A"	965	929	0.09
30	A"	927	893	9.93
31	A"	900	866	2.47
32	A"	785	756	0.32
33	A"	393	378	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	-1.197	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	1.344	-1.415	0.000
H7	-0.251	-2.157	0.000
H8	-1.058	-0.573	1.644
H9	-1.058	-0.573	-1.644
H10	-0.110	1.958	1.288
H11	-0.110	1.958	-1.288
H12	0.645	-0.460	-2.049
H13	0.645	-0.460	2.049

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5441	1.5441	2.3869	2.3869	1.0944	1.0929	2.2046	2.2046	3.4298	3.4298	2.2090	2.2090
C2	1.5441		2.4585	1.5062	2.3542	2.1662	2.2117	1.0994	3.0482	2.2870	3.4008	3.3576	1.0956
C3	1.5441	2.4585		2.3542	1.5062	2.1662	2.2117	3.0482	1.0994	3.4008	2.2870	1.0956	3.3576
C4	2.3869	1.5062	2.3542		1.3315	2.9350	3.2995	2.1517	3.0012	1.0861	2.1472	3.1967	2.1825
C5	2.3869	2.3542	1.5062	1.3315		2.9350	3.2995	3.0012	2.1517	2.1472	1.0861	2.1825	3.1967
H6	1.0944	2.1662	2.1662	2.9350	2.9350		1.7592	3.0301	3.0301	3.8927	3.8927	2.3657	2.3657
H7	1.0929	2.2117	2.2117	3.2995	3.2995	1.7592		2.4217	2.4217	4.3149	4.3149	2.8071	2.8071
H8	2.2046	1.0994	3.0482	2.1517	3.0012	3.0301	2.4217		3.2878	2.7262	3.9880	4.0680	1.7543
H9	2.2046	3.0482	1.0994	3.0012	2.1517	3.0301	2.4217	3.2878		3.9880	2.7262	1.7543	4.0680
H10	3.4298	2.2870	3.4008	1.0861	2.1472	3.8927	4.3149	2.7262	3.9880		2.5768	4.1899	2.6453
H11	3.4298	3.4008	2.2870	2.1472	1.0861	3.8927	4.3149	3.9880	2.7262	2.5768		2.6453	4.1899
H12	2.2090	3.3576	1.0956	3.1967	2.1825	2.3657	2.8071	4.0680	1.7543	4.1899	2.6453		4.0972
H13	2.2090	1.0956	3.3576	2.1825	3.1967	2.3657	2.8071	1.7543	4.0680	2.6453	4.1899	4.0972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.978	C1	C2	H8	111.919
C1	C2	H13	112.512	C1	C3	C5	102.978
C1	C3	H9	111.919	C1	C3	H12	112.512
C2	C1	C3	105.523	C2	C1	H6	109.187
C2	C1	H7	112.901	C2	C4	C5	111.970
C2	C4	H10	122.998	C3	C1	H6	109.187
C3	C1	H7	112.901	C3	C5	C4	111.970
C3	C5	H11	122.998	C4	C2	H8	110.362
C4	C2	H13	113.091	C4	C5	H11	124.979
C5	C3	H9	110.362	C5	C3	H12	113.091
C5	C4	H10	124.979	H6	C1	H7	107.084
H8	C2	H13	106.116	H9	C3	H12	106.116

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3PW91/6-311G*

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	-0.452
2	C	-0.453
3	C	-0.453
4	C	-0.185
5	C	-0.185
6	H	0.226
7	H	0.222
8	H	0.222
9	H	0.222
10	H	0.196
11	H	0.196
12	H	0.223
13	H	0.223

	x	y	z	Total
	-0.058	-0.170	0.000	0.180
CHELPG
AIM
ESP

<r²>	104.709
(<r²>)^1/2	10.233

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)