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	hartrees
Energy at 0K	-195.330664
Energy at 298.15K	-195.339650
Nuclear repulsion energy	171.819502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3083	22.58
2	A'	3126	2991	41.07
3	A'	3088	2955	50.55
4	A'	3068	2935	9.67
5	A'	3027	2896	30.21
6	A'	1703	1629	1.78
7	A'	1509	1443	2.86
8	A'	1482	1418	2.09
9	A'	1336	1278	1.74
10	A'	1236	1183	1.63
11	A'	1131	1082	0.21
12	A'	1068	1022	7.42
13	A'	992	949	1.31
14	A'	925	885	0.65
15	A'	830	794	0.66
16	A'	721	690	37.19
17	A'	609	582	12.19
18	A'	153	146	0.24
19	A"	3197	3059	7.33
20	A"	3081	2948	30.95
21	A"	3029	2898	55.36
22	A"	1488	1423	3.08
23	A"	1386	1326	2.50
24	A"	1328	1270	0.29
25	A"	1307	1251	1.93
26	A"	1234	1181	0.01
27	A"	1157	1107	1.75
28	A"	1054	1008	2.15
29	A"	983	940	0.08
30	A"	931	891	11.00
31	A"	898	860	1.69
32	A"	787	753	0.32
33	A"	395	378	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	-1.194	0.000
C2	-0.071	-0.328	1.227
C3	-0.071	-0.328	-1.227
C4	-0.071	1.068	0.665
C5	-0.071	1.068	-0.665
H6	1.350	-1.398	0.000
H7	-0.236	-2.157	0.000
H8	-1.061	-0.573	1.634
H9	-1.061	-0.573	-1.634
H10	-0.111	1.954	1.286
H11	-0.111	1.954	-1.286
H12	0.640	-0.459	-2.047
H13	0.640	-0.459	2.047

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5415	1.5415	2.3827	2.3827	1.0927	1.0910	2.2006	2.2006	3.4230	3.4230	2.2050	2.2050
C2	1.5415		2.4537	1.5045	2.3507	2.1612	2.2083	1.0976	3.0366	2.2836	3.3951	3.3529	1.0936
C3	1.5415	2.4537		2.3507	1.5045	2.1612	2.2083	3.0366	1.0976	3.3951	2.2836	1.0936	3.3529
C4	2.3827	1.5045	2.3507		1.3296	2.9224	3.2962	2.1471	2.9923	1.0837	2.1435	3.1925	2.1791
C5	2.3827	2.3507	1.5045	1.3296		2.9224	3.2962	2.9923	2.1471	2.1435	1.0837	2.1791	3.1925
H6	1.0927	2.1612	2.1612	2.9224	2.9224		1.7590	3.0269	3.0269	3.8766	3.8766	2.3613	2.3613
H7	1.0910	2.2083	2.2083	3.2962	3.2962	1.7590		2.4197	2.4197	4.3095	4.3095	2.7999	2.7999
H8	2.2006	1.0976	3.0366	2.1471	2.9923	3.0269	2.4197		3.2670	2.7226	3.9769	4.0562	1.7540
H9	2.2006	3.0366	1.0976	2.9923	2.1471	3.0269	2.4197	3.2670		3.9769	2.7226	1.7540	4.0562
H10	3.4230	2.2836	3.3951	1.0837	2.1435	3.8766	4.3095	2.7226	3.9769		2.5723	4.1836	2.6402
H11	3.4230	3.3951	2.2836	2.1435	1.0837	3.8766	4.3095	3.9769	2.7226	2.5723		2.6402	4.1836
H12	2.2050	3.3529	1.0936	3.1925	2.1791	2.3613	2.7999	4.0562	1.7540	4.1836	2.6402		4.0943
H13	2.2050	1.0936	3.3529	2.1791	3.1925	2.3613	2.7999	1.7540	4.0562	2.6402	4.1836	4.0943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.928	C1	C2	H8	111.897
C1	C2	H13	112.495	C1	C3	C5	102.928
C1	C3	H9	111.897	C1	C3	H12	112.495
C2	C1	C3	105.479	C2	C1	H6	109.065
C2	C1	H7	112.921	C2	C4	C5	111.937
C2	C4	H10	123.024	C3	C1	H6	109.065
C3	C1	H7	112.921	C3	C5	C4	111.937
C3	C5	H11	123.024	C4	C2	H8	110.230
C4	C2	H13	113.060	C4	C5	H11	124.986
C5	C3	H9	110.230	C5	C3	H12	113.060
C5	C4	H10	124.986	H6	C1	H7	107.312
H8	C2	H13	106.349	H9	C3	H12	106.349

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: mPW1PW91/6-311G**

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	-0.275
2	C	-0.234
3	C	-0.234
4	C	-0.129
5	C	-0.129
6	H	0.138
7	H	0.129
8	H	0.134
9	H	0.134
10	H	0.101
11	H	0.101
12	H	0.132
13	H	0.132

	x	y	z	Total
	-0.059	-0.181	0.000	0.191
CHELPG
AIM
ESP

	x	y	z
x	5.942	-0.101	0.000
y	-0.101	7.971	0.000
z	0.000	0.000	9.367

<r²>	104.355
(<r²>)^1/2	10.215

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: mPW1PW91/6-311G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)