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	hartrees
Energy at 0K	-195.193957
Energy at 298.15K	-195.202774
HF Energy	-195.193957
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3095	39.37
2	A'	3062	3002	51.19
3	A'	3019	2960	70.67
4	A'	2999	2940	7.97
5	A'	2955	2897	39.67
6	A'	1658	1625	2.14
7	A'	1506	1476	0.57
8	A'	1481	1452	0.73
9	A'	1314	1288	0.05
10	A'	1218	1194	1.23
11	A'	1115	1093	0.10
12	A'	1057	1036	4.31
13	A'	964	945	0.55
14	A'	893	875	0.42
15	A'	813	798	0.26
16	A'	696	682	25.49
17	A'	599	587	11.93
18	A'	138	135	0.21
19	A"	3131	3069	13.76
20	A"	3007	2948	40.76
21	A"	2955	2897	70.01
22	A"	1487	1458	0.12
23	A"	1366	1340	0.48
24	A"	1309	1283	0.58
25	A"	1290	1265	1.71
26	A"	1210	1186	0.10
27	A"	1137	1114	1.44
28	A"	1026	1006	1.55
29	A"	932	913	0.11
30	A"	910	892	5.55
31	A"	883	866	2.99
32	A"	767	752	0.18
33	A"	379	372	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	-1.206	0.000
C2	-0.070	-0.328	1.238
C3	-0.070	-0.328	-1.238
C4	-0.070	1.076	0.671
C5	-0.070	1.076	-0.671
H6	1.349	-1.425	0.000
H7	-0.259	-2.167	0.000
H8	-1.063	-0.577	1.654
H9	-1.063	-0.577	-1.654
H10	-0.110	1.967	1.300
H11	-0.110	1.967	-1.300
H12	0.651	-0.463	-2.060
H13	0.651	-0.463	2.060

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5551	1.5551	2.4028	2.4028	1.0999	1.0984	2.2168	2.2168	3.4496	3.4496	2.2224	2.2224
C2	1.5551		2.4754	1.5143	2.3698	2.1792	2.2247	1.1056	3.0678	2.2960	3.4220	3.3782	1.1017
C3	1.5551	2.4754		2.3698	1.5143	2.1792	2.2247	3.0678	1.1056	3.4220	2.2960	1.1017	3.3782
C4	2.4028	1.5143	2.3698		1.3424	2.9530	3.3173	2.1643	3.0208	1.0912	2.1639	3.2168	2.1947
C5	2.4028	2.3698	1.5143	1.3424		2.9530	3.3173	3.0208	2.1643	2.1639	1.0912	2.1947	3.2168
H6	1.0999	2.1792	2.1792	2.9530	2.9530		1.7718	3.0460	3.0460	3.9146	3.9146	2.3784	2.3784
H7	1.0984	2.2247	2.2247	3.3173	3.3173	1.7718		2.4315	2.4315	4.3360	4.3360	2.8243	2.8243
H8	2.2168	1.1056	3.0678	2.1643	3.0208	3.0460	2.4315		3.3080	2.7388	4.0131	4.0922	1.7656
H9	2.2168	3.0678	1.1056	3.0208	2.1643	3.0460	2.4315	3.3080		4.0131	2.7388	1.7656	4.0922
H10	3.4496	2.2960	3.4220	1.0912	2.1639	3.9146	4.3360	2.7388	4.0131		2.6010	4.2160	2.6568
H11	3.4496	3.4220	2.2960	2.1639	1.0912	3.9146	4.3360	4.0131	2.7388	2.6010		2.6568	4.2160
H12	2.2224	3.3782	1.1017	3.2168	2.1947	2.3784	2.8243	4.0922	1.7656	4.2160	2.6568		4.1200
H13	2.2224	1.1017	3.3782	2.1947	3.2168	2.3784	2.8243	1.7656	4.0922	2.6568	4.2160	4.1200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.037	C1	C2	H8	111.702
C1	C2	H13	112.455	C1	C3	C5	103.037
C1	C3	H9	111.702	C1	C3	H12	112.455
C2	C1	C3	105.470	C2	C1	H6	109.035
C2	C1	H7	112.948	C2	C4	C5	111.924
C2	C4	H10	122.869	C3	C1	H6	109.035
C3	C1	H7	112.948	C3	C5	C4	111.924
C3	C5	H11	122.869	C4	C2	H8	110.368
C4	C2	H13	113.160	C4	C5	H11	125.160
C5	C3	H9	110.368	C5	C3	H12	113.160
C5	C4	H10	125.160	H6	C1	H7	107.324
H8	C2	H13	106.243	H9	C3	H12	106.243

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B97D3/6-31G*

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	-0.289
2	C	-0.309
3	C	-0.309
4	C	-0.108
5	C	-0.108
6	H	0.149
7	H	0.140
8	H	0.147
9	H	0.147
10	H	0.126
11	H	0.126
12	H	0.144
13	H	0.144

	x	y	z	Total
	-0.046	-0.155	0.000	0.161
CHELPG
AIM
ESP

	x	y	z
x	5.466	-0.071	0.000
y	-0.071	7.648	0.000
z	0.000	0.000	9.011

<r²>	105.536
(<r²>)^1/2	10.273

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)