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	hartrees
Energy at 0K	-194.164165
Energy at 298.15K	-194.173158
HF Energy	-194.164165
Nuclear repulsion energy	170.321254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3099	12.73
2	A'	3152	2985	23.28
3	A'	3132	2967	8.83
4	A'	3097	2934	17.05
5	A'	3044	2883	13.97
6	A'	1702	1613	0.28
7	A'	1561	1478	2.81
8	A'	1534	1453	2.56
9	A'	1346	1275	5.06
10	A'	1274	1207	1.26
11	A'	1172	1110	0.04
12	A'	1095	1037	5.61
13	A'	979	927	1.68
14	A'	909	861	0.78
15	A'	835	791	0.63
16	A'	752	712	45.79
17	A'	628	595	13.81
18	A'	136	129	0.15
19	A"	3244	3073	1.69
20	A"	3133	2968	19.02
21	A"	3045	2884	24.58
22	A"	1547	1465	3.52
23	A"	1407	1333	3.67
24	A"	1370	1298	0.49
25	A"	1345	1274	3.78
26	A"	1248	1182	0.03
27	A"	1208	1144	1.50
28	A"	1053	997	0.82
29	A"	1030	975	0.00
30	A"	931	882	3.36
31	A"	902	855	5.51
32	A"	801	759	0.50
33	A"	395	374	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	-1.215	0.000
C2	-0.070	-0.330	1.244
C3	-0.070	-0.330	-1.244
C4	-0.070	1.081	0.666
C5	-0.070	1.081	-0.666
H6	1.342	-1.431	0.000
H7	-0.279	-2.159	0.000
H8	-1.061	-0.574	1.649
H9	-1.061	-0.574	-1.649
H10	-0.101	1.963	1.294
H11	-0.101	1.963	-1.294
H12	0.664	-0.456	-2.045
H13	0.664	-0.456	2.045

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5637	1.5637	2.4154	2.4154	1.0935	1.0914	2.2136	2.2136	3.4517	3.4517	2.2168	2.2168
C2	1.5637		2.4873	1.5253	2.3751	2.1801	2.2210	1.0975	3.0668	2.2943	3.4207	3.3719	1.0939
C3	1.5637	2.4873		2.3751	1.5253	2.1801	2.2210	3.0668	1.0975	3.4207	2.2943	1.0939	3.3719
C4	2.4154	1.5253	2.3751		1.3326	2.9584	3.3145	2.1647	3.0132	1.0828	2.1498	3.2019	2.1914
C5	2.4154	2.3751	1.5253	1.3326		2.9584	3.3145	3.0132	2.1647	2.1498	1.0828	2.1914	3.2019
H6	1.0935	2.1801	2.1801	2.9584	2.9584		1.7762	3.0375	3.0375	3.9089	3.9089	2.3652	2.3652
H7	1.0914	2.2210	2.2210	3.3145	3.3145	1.7762		2.4169	2.4169	4.3239	4.3239	2.8233	2.8233
H8	2.2136	1.0975	3.0668	2.1647	3.0132	3.0375	2.4169		3.2971	2.7355	4.0021	4.0781	1.7736
H9	2.2136	3.0668	1.0975	3.0132	2.1647	3.0375	2.4169	3.2971		4.0021	2.7355	1.7736	4.0781
H10	3.4517	2.2943	3.4207	1.0828	2.1498	3.9089	4.3239	2.7355	4.0021		2.5882	4.1935	2.6456
H11	3.4517	3.4207	2.2943	2.1498	1.0828	3.9089	4.3239	4.0021	2.7355	2.5882		2.6456	4.1935
H12	2.2168	3.3719	1.0939	3.2019	2.1914	2.3652	2.8233	4.0781	1.7736	4.1935	2.6456		4.0901
H13	2.2168	1.0939	3.3719	2.1914	3.2019	2.3652	2.8233	1.7736	4.0781	2.6456	4.1935	4.0901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.866	C1	C2	H8	111.364
C1	C2	H13	111.837	C1	C3	C5	102.866
C1	C3	H9	111.364	C1	C3	H12	111.837
C2	C1	C3	105.371	C2	C1	H6	108.973
C2	C1	H7	112.324	C2	C4	C5	112.241
C2	C4	H10	122.292	C3	C1	H6	108.973
C3	C1	H7	112.324	C3	C5	C4	112.241
C3	C5	H11	122.292	C4	C2	H8	110.177
C4	C2	H13	112.532	C4	C5	H11	125.436
C5	C3	H9	110.177	C5	C3	H12	112.532
C5	C4	H10	125.436	H6	C1	H7	108.765
H8	C2	H13	108.057	H9	C3	H12	108.057

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: M06-2X/3-21G*

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	-0.399
2	C	-0.432
3	C	-0.432
4	C	-0.191
5	C	-0.191
6	H	0.211
7	H	0.201
8	H	0.211
9	H	0.211
10	H	0.198
11	H	0.198
12	H	0.207
13	H	0.207

	x	y	z	Total
	-0.050	-0.164	0.000	0.171
CHELPG
AIM
ESP

	x	y	z
x	4.877	-0.061	0.000
y	-0.061	6.845	0.000
z	0.000	0.000	8.302

<r²>	105.905
(<r²>)^1/2	10.291

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)