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	hartrees
Energy at 0K	-195.118819
Energy at 298.15K	-195.127639
Nuclear repulsion energy	170.891837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3106	23.44
2	A'	3033	3012	35.39
3	A'	2995	2975	49.91
4	A'	2976	2956	3.99
5	A'	2931	2911	29.62
6	A'	1631	1620	2.55
7	A'	1452	1442	2.71
8	A'	1428	1418	1.28
9	A'	1278	1269	1.24
10	A'	1187	1179	1.49
11	A'	1091	1084	0.15
12	A'	1029	1022	6.38
13	A'	960	953	0.86
14	A'	892	886	0.56
15	A'	796	791	0.50
16	A'	689	685	30.57
17	A'	593	589	12.35
18	A'	137	136	0.21
19	A"	3103	3081	7.65
20	A"	2984	2964	33.69
21	A"	2933	2913	50.10
22	A"	1432	1422	2.94
23	A"	1336	1326	1.34
24	A"	1273	1264	0.05
25	A"	1260	1251	1.87
26	A"	1182	1174	0.01
27	A"	1111	1103	1.40
28	A"	1015	1008	2.42
29	A"	933	927	0.04
30	A"	899	893	10.64
31	A"	867	861	2.00
32	A"	763	758	0.31
33	A"	382	380	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.262	-1.204	0.000
C2	-0.067	-0.327	1.234
C3	-0.067	-0.327	-1.234
C4	-0.067	1.072	0.669
C5	-0.067	1.072	-0.669
H6	1.336	-1.440	0.000
H7	-0.279	-2.159	0.000
H8	-1.058	-0.569	1.661
H9	-1.058	-0.569	-1.661
H10	-0.107	1.965	1.295
H11	-0.107	1.965	-1.295
H12	0.657	-0.460	-2.052
H13	0.657	-0.460	2.052

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5500	1.5500	2.3955	2.3955	1.0994	1.0976	2.2143	2.2143	3.4432	3.4432	2.2183	2.2183
C2	1.5500		2.4690	1.5088	2.3624	2.1754	2.2195	1.1050	3.0694	2.2928	3.4131	3.3683	1.1007
C3	1.5500	2.4690		2.3624	1.5088	2.1754	2.2195	3.0694	1.1050	3.4131	2.2928	1.1007	3.3683
C4	2.3955	1.5088	2.3624		1.3383	2.9541	3.3065	2.1581	3.0170	1.0907	2.1575	3.2063	2.1880
C5	2.3955	2.3624	1.5088	1.3383		2.9541	3.3065	3.0170	2.1581	2.1575	1.0907	2.1880	3.2063
H6	1.0994	2.1754	2.1754	2.9541	2.9541		1.7682	3.0406	3.0406	3.9180	3.9180	2.3730	2.3730
H7	1.0976	2.2195	2.2195	3.3065	3.3065	1.7682		2.4272	2.4272	4.3258	4.3258	2.8237	2.8237
H8	2.2143	1.1050	3.0694	2.1581	3.0170	3.0406	2.4272		3.3213	2.7310	4.0071	4.0912	1.7623
H9	2.2143	3.0694	1.1050	3.0170	2.1581	3.0406	2.4272	3.3213		4.0071	2.7310	1.7623	4.0912
H10	3.4432	2.2928	3.4131	1.0907	2.1575	3.9180	4.3258	2.7310	4.0071		2.5890	4.2034	2.6536
H11	3.4432	3.4131	2.2928	2.1575	1.0907	3.9180	4.3258	4.0071	2.7310	2.5890		2.6536	4.2034
H12	2.2183	3.3683	1.1007	3.2063	2.1880	2.3730	2.8237	4.0912	1.7623	4.2034	2.6536		4.1044
H13	2.2183	1.1007	3.3683	2.1880	3.2063	2.3730	2.8237	1.7623	4.0912	2.6536	4.2034	4.1044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.089	C1	C2	H8	111.933
C1	C2	H13	112.512	C1	C3	C5	103.089
C1	C3	H9	111.933	C1	C3	H12	112.512
C2	C1	C3	105.582	C2	C1	H6	109.205
C2	C1	H7	112.803	C2	C4	C5	112.005
C2	C4	H10	122.960	C3	C1	H6	109.205
C3	C1	H7	112.803	C3	C5	C4	112.005
C3	C5	H11	122.960	C4	C2	H8	110.358
C4	C2	H13	113.022	C4	C5	H11	124.983
C5	C3	H9	110.358	C5	C3	H12	113.022
C5	C4	H10	124.983	H6	C1	H7	107.189
H8	C2	H13	106.066	H9	C3	H12	106.066

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.154
2	C	-0.127
3	C	-0.127
4	C	-0.131
5	C	-0.131
6	H	0.083
7	H	0.078
8	H	0.079
9	H	0.079
10	H	0.096
11	H	0.096
12	H	0.079
13	H	0.079

	x	y	z	Total
	-0.055	-0.219	0.000	0.226
CHELPG
AIM
ESP

	x	y	z
x	6.583	-0.117	0.000
y	-0.117	8.828	0.000
z	0.000	0.000	10.075

<r²>	105.590
(<r²>)^1/2	10.276

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)