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	hartrees
Energy at 0K	-195.257584
Energy at 298.15K	-195.266511
Nuclear repulsion energy	171.258130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3086	28.00
2	A'	3129	2993	40.42
3	A'	3088	2954	55.24
4	A'	3069	2936	8.27
5	A'	3027	2896	29.14
6	A'	1710	1636	1.53
7	A'	1532	1466	1.18
8	A'	1505	1440	1.16
9	A'	1348	1289	0.45
10	A'	1242	1188	1.29
11	A'	1138	1089	0.13
12	A'	1077	1031	5.16
13	A'	992	949	0.84
14	A'	922	882	0.46
15	A'	830	794	0.44
16	A'	718	687	29.91
17	A'	612	585	12.11
18	A'	144	137	0.22
19	A"	3201	3062	8.92
20	A"	3079	2946	29.77
21	A"	3028	2897	60.13
22	A"	1512	1447	0.80
23	A"	1397	1337	1.26
24	A"	1337	1279	0.49
25	A"	1317	1260	1.92
26	A"	1242	1188	0.01
27	A"	1161	1111	1.47
28	A"	1057	1012	1.73
29	A"	971	929	0.12
30	A"	934	893	8.20
31	A"	905	866	1.80
32	A"	782	748	0.22
33	A"	390	374	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	-1.200	0.000
C2	-0.069	-0.327	1.232
C3	-0.069	-0.327	-1.232
C4	-0.069	1.071	0.667
C5	-0.069	1.071	-0.667
H6	1.338	-1.426	0.000
H7	-0.267	-2.156	0.000
H8	-1.056	-0.572	1.653
H9	-1.056	-0.572	-1.653
H10	-0.107	1.960	1.293
H11	-0.107	1.960	-1.293
H12	0.653	-0.461	-2.048
H13	0.653	-0.461	2.048

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5465	1.5465	2.3902	2.3902	1.0960	1.0947	2.2079	2.2079	3.4338	3.4338	2.2114	2.2114
C2	1.5465		2.4641	1.5076	2.3585	2.1694	2.2142	1.1011	3.0590	2.2876	3.4065	3.3614	1.0976
C3	1.5465	2.4641		2.3585	1.5076	2.1694	2.2142	3.0590	1.1011	3.4065	2.2876	1.0976	3.3614
C4	2.3902	1.5076	2.3585		1.3350	2.9431	3.3012	2.1551	3.0095	1.0872	2.1526	3.2004	2.1850
C5	2.3902	2.3585	1.5076	1.3350		2.9431	3.3012	3.0095	2.1551	2.1526	1.0872	2.1850	3.2004
H6	1.0960	2.1694	2.1694	2.9431	2.9431		1.7630	3.0327	3.0327	3.9020	3.9020	2.3658	2.3658
H7	1.0947	2.2142	2.2142	3.3012	3.3012	1.7630		2.4219	2.4219	4.3168	4.3168	2.8131	2.8131
H8	2.2079	1.1011	3.0590	2.1551	3.0095	3.0327	2.4219		3.3054	2.7271	3.9979	4.0781	1.7580
H9	2.2079	3.0590	1.1011	3.0095	2.1551	3.0327	2.4219	3.3054		3.9979	2.7271	1.7580	4.0781
H10	3.4338	2.2876	3.4065	1.0872	2.1526	3.9020	4.3168	2.7271	3.9979		2.5855	4.1951	2.6473
H11	3.4338	3.4065	2.2876	2.1526	1.0872	3.9020	4.3168	3.9979	2.7271	2.5855		2.6473	4.1951
H12	2.2114	3.3614	1.0976	3.2004	2.1850	2.3658	2.8131	4.0781	1.7580	4.1951	2.6473		4.0965
H13	2.2114	1.0976	3.3614	2.1850	3.2004	2.3658	2.8131	1.7580	4.0781	2.6473	4.1951	4.0965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.998	C1	C2	H8	111.904
C1	C2	H13	112.407	C1	C3	C5	102.998
C1	C3	H9	111.904	C1	C3	H12	112.407
C2	C1	C3	105.628	C2	C1	H6	109.174
C2	C1	H7	112.815	C2	C4	C5	111.993
C2	C4	H10	122.853	C3	C1	H6	109.174
C3	C1	H7	112.815	C3	C5	C4	111.993
C3	C5	H11	122.853	C4	C2	H8	110.433
C4	C2	H13	113.065	C4	C5	H11	125.106
C5	C3	H9	110.433	C5	C3	H12	113.065
C5	C4	H10	125.106	H6	C1	H7	107.176
H8	C2	H13	106.170	H9	C3	H12	106.170

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.335	-0.146
2	C	-0.354	0.118
3	C	-0.354	0.118
4	C	-0.134	-0.221
5	C	-0.134	-0.221
6	H	0.171	0.054
7	H	0.162	0.027
8	H	0.169	0.013
9	H	0.169	0.013
10	H	0.153	0.124
11	H	0.153	0.124
12	H	0.166	-0.001
13	H	0.166	-0.001

	x	y	z	Total
	-0.047	-0.157	0.000	0.164
CHELPG
AIM
ESP	-0.071	-0.179	0.000	0.193

<r²>	104.655
(<r²>)^1/2	10.230

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)