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	hartrees
Energy at 0K	-193.900673
Energy at 298.15K	-193.909901
Nuclear repulsion energy	171.446825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3397	3067	30.06
2	A'	3265	2948	66.76
3	A'	3229	2915	65.17
4	A'	3207	2895	18.01
5	A'	3178	2870	24.29
6	A'	1845	1666	0.82
7	A'	1671	1509	1.65
8	A'	1648	1488	1.06
9	A'	1475	1332	1.61
10	A'	1364	1232	1.84
11	A'	1253	1131	0.02
12	A'	1201	1085	11.20
13	A'	1049	947	2.11
14	A'	958	865	0.91
15	A'	894	807	4.14
16	A'	808	730	42.62
17	A'	704	636	13.61
18	A'	114	103	0.15
19	A"	3366	3039	8.85
20	A"	3219	2906	26.36
21	A"	3179	2870	84.79
22	A"	1655	1495	1.15
23	A"	1523	1375	2.99
24	A"	1479	1335	2.63
25	A"	1445	1305	1.38
26	A"	1363	1231	0.01
27	A"	1289	1164	1.01
28	A"	1134	1024	0.94
29	A"	1122	1013	0.10
30	A"	1006	908	1.63
31	A"	970	876	7.65
32	A"	860	776	0.60
33	A"	429	387	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.204	-1.220	0.000
C2	-0.053	-0.321	1.239
C3	-0.053	-0.321	-1.239
C4	-0.053	1.077	0.662
C5	-0.053	1.077	-0.662
H6	1.234	-1.556	0.000
H7	-0.422	-2.103	0.000
H8	-1.008	-0.545	1.708
H9	-1.008	-0.545	-1.708
H10	-0.075	1.954	1.279
H11	-0.075	1.954	-1.279
H12	0.706	-0.454	-2.002
H13	0.706	-0.454	2.002

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5528	1.5528	2.4043	2.4043	1.0836	1.0823	2.2011	2.2011	3.4335	3.4335	2.2016	2.2016
C2	1.5528		2.4785	1.5121	2.3596	2.1724	2.2020	1.0873	3.1067	2.2751	3.3938	3.3318	1.0849
C3	1.5528	2.4785		2.3596	1.5121	2.1724	2.2020	3.1067	1.0873	3.3938	2.2751	1.0849	3.3318
C4	2.4043	1.5121	2.3596		1.3239	3.0043	3.2691	2.1533	3.0267	1.0728	2.1304	3.1651	2.1719
C5	2.4043	2.3596	1.5121	1.3239		3.0043	3.2691	3.0267	2.1533	2.1304	1.0728	2.1719	3.1651
H6	1.0836	2.1724	2.1724	3.0043	3.0043		1.7445	2.9951	2.9951	3.9580	3.9580	2.3452	2.3452
H7	1.0823	2.2020	2.2020	3.2691	3.2691	1.7445		2.3857	2.3857	4.2683	4.2683	2.8285	2.8285
H8	2.2011	1.0873	3.1067	2.1533	3.0267	2.9951	2.3857		3.4170	2.7019	4.0054	4.0886	1.7421
H9	2.2011	3.1067	1.0873	3.0267	2.1533	2.9951	2.3857	3.4170		4.0054	2.7019	1.7421	4.0886
H10	3.4335	2.2751	3.3938	1.0728	2.1304	3.9580	4.2683	2.7019	4.0054		2.5588	4.1444	2.6326
H11	3.4335	3.3938	2.2751	2.1304	1.0728	3.9580	4.2683	4.0054	2.7019	2.5588		2.6326	4.1444
H12	2.2016	3.3318	1.0849	3.1651	2.1719	2.3452	2.8285	4.0886	1.7421	4.1444	2.6326		4.0040
H13	2.2016	1.0849	3.3318	2.1719	3.1651	2.3452	2.8285	1.7421	4.0886	2.6326	4.1444	4.0040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.336	C1	C2	H8	111.754
C1	C2	H13	111.946	C1	C3	C5	103.336
C1	C3	H9	111.754	C1	C3	H12	111.946
C2	C1	C3	105.899	C2	C1	H6	109.689
C2	C1	H7	112.133	C2	C4	C5	112.445
C2	C4	H10	122.404	C3	C1	H6	109.689
C3	C1	H7	112.133	C3	C5	C4	112.445
C3	C5	H11	122.404	C4	C2	H8	110.811
C4	C2	H13	112.463	C4	C5	H11	125.137
C5	C3	H9	110.811	C5	C3	H12	112.463
C5	C4	H10	125.137	H6	C1	H7	107.296
H8	C2	H13	106.640	H9	C3	H12	106.640

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: HF/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	CHELPG
1	C	-0.321	-0.141
2	C	-0.342	0.288
3	C	-0.342	0.288
4	C	-0.169	-0.260
5	C	-0.169	-0.260
6	H	0.165	0.022
7	H	0.159	0.008
8	H	0.165	-0.047
9	H	0.165	-0.047
10	H	0.182	0.127
11	H	0.182	0.127
12	H	0.162	-0.053
13	H	0.162	-0.053

	x	y	z	Total
	-0.032	-0.154	0.000	0.158
CHELPG	-0.033	-0.130	0.000	0.134
AIM
ESP

	x	y	z
x	5.135	-0.035	0.000
y	-0.035	6.887	0.000
z	0.000	0.000	8.799

<r²>	105.283
(<r²>)^1/2	10.261

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)