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	hartrees
Energy at 0K	-195.049833
Energy at 298.15K	-195.058633
Nuclear repulsion energy	170.340747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3102	28.96
2	A'	3054	3010	36.83
3	A'	3011	2968	53.66
4	A'	2993	2950	5.87
5	A'	2946	2904	30.92
6	A'	1652	1629	1.78
7	A'	1485	1464	1.21
8	A'	1460	1439	1.04
9	A'	1299	1281	0.29
10	A'	1202	1184	1.24
11	A'	1103	1087	0.16
12	A'	1042	1027	4.14
13	A'	968	954	0.59
14	A'	899	886	0.44
15	A'	807	795	0.21
16	A'	693	683	26.74
17	A'	592	584	12.31
18	A'	142	140	0.25
19	A"	3122	3078	8.78
20	A"	3001	2958	31.59
21	A"	2947	2905	55.31
22	A"	1466	1445	0.80
23	A"	1353	1334	0.69
24	A"	1293	1275	0.40
25	A"	1272	1253	1.73
26	A"	1198	1181	0.04
27	A"	1122	1106	1.38
28	A"	1028	1013	1.78
29	A"	927	914	0.07
30	A"	910	897	8.51
31	A"	878	866	1.55
32	A"	760	749	0.18
33	A"	380	375	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.271	-1.204	0.000
C2	-0.070	-0.328	1.238
C3	-0.070	-0.328	-1.238
C4	-0.070	1.075	0.673
C5	-0.070	1.075	-0.673
H6	1.353	-1.425	0.000
H7	-0.259	-2.171	0.000
H8	-1.066	-0.577	1.658
H9	-1.066	-0.577	-1.658
H10	-0.111	1.970	1.303
H11	-0.111	1.970	-1.303
H12	0.653	-0.465	-2.064
H13	0.653	-0.465	2.064

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5538	1.5538	2.4007	2.4007	1.1040	1.1024	2.2206	2.2206	3.4520	3.4520	2.2249	2.2249
C2	1.5538		2.4751	1.5130	2.3703	2.1811	2.2274	1.1097	3.0722	2.2993	3.4259	3.3819	1.1057
C3	1.5538	2.4751		2.3703	1.5130	2.1811	2.2274	3.0722	1.1097	3.4259	2.2993	1.1057	3.3819
C4	2.4007	1.5130	2.3703		1.3450	2.9539	3.3202	2.1662	3.0253	1.0951	2.1690	3.2217	2.1973
C5	2.4007	2.3703	1.5130	1.3450		2.9539	3.3202	3.0253	2.1662	2.1690	1.0951	2.1973	3.2217
H6	1.1040	2.1811	2.1811	2.9539	2.9539		1.7759	3.0529	3.0529	3.9196	3.9196	2.3813	2.3813
H7	1.1024	2.2274	2.2274	3.3202	3.3202	1.7759		2.4375	2.4375	4.3430	4.3430	2.8283	2.8283
H8	2.2206	1.1097	3.0722	2.1662	3.0253	3.0529	2.4375		3.3159	2.7426	4.0203	4.1008	1.7695
H9	2.2206	3.0722	1.1097	3.0253	2.1662	3.0529	2.4375	3.3159		4.0203	2.7426	1.7695	4.1008
H10	3.4520	2.2993	3.4259	1.0951	2.1690	3.9196	4.3430	2.7426	4.0203		2.6059	4.2241	2.6623
H11	3.4520	3.4259	2.2993	2.1690	1.0951	3.9196	4.3430	4.0203	2.7426	2.6059		2.6623	4.2241
H12	2.2249	3.3819	1.1057	3.2217	2.1973	2.3813	2.8283	4.1008	1.7695	4.2241	2.6623		4.1271
H13	2.2249	1.1057	3.3819	2.1973	3.2217	2.3813	2.8283	1.7695	4.1008	2.6623	4.2241	4.1271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.024	C1	C2	H8	111.880
C1	C2	H13	112.470	C1	C3	C5	103.024
C1	C3	H9	111.880	C1	C3	H12	112.470
C2	C1	C3	105.582	C2	C1	H6	109.124
C2	C1	H7	112.872	C2	C4	C5	111.928
C2	C4	H10	122.870	C3	C1	H6	109.124
C3	C1	H7	112.872	C3	C5	C4	111.928
C3	C5	H11	122.870	C4	C2	H8	110.427
C4	C2	H13	113.164	C4	C5	H11	125.147
C5	C3	H9	110.427	C5	C3	H12	113.164
C5	C4	H10	125.147	H6	C1	H7	107.200
H8	C2	H13	106.020	H9	C3	H12	106.020

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: PBEPBE/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	-0.311
2	C	-0.334
3	C	-0.334
4	C	-0.108
5	C	-0.108
6	H	0.159
7	H	0.149
8	H	0.158
9	H	0.158
10	H	0.130
11	H	0.130
12	H	0.154
13	H	0.154

	x	y	z	Total
	-0.049	-0.171	0.000	0.178
CHELPG
AIM
ESP

	x	y	z
x	5.482	-0.073	0.000
y	-0.073	7.684	0.000
z	0.000	0.000	9.032

<r²>	105.655
(<r²>)^1/2	10.279

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)