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	hartrees
Energy at 0K	-33.051530
Energy at 298.15K	-33.060398
Nuclear repulsion energy	92.052018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3078	37.44
2	A'	3081	2987	69.58
3	A'	3045	2952	77.66
4	A'	3025	2932	11.17
5	A'	2987	2896	43.27
6	A'	1651	1601	3.37
7	A'	1520	1474	1.19
8	A'	1493	1447	1.24
9	A'	1325	1285	0.09
10	A'	1225	1188	2.06
11	A'	1117	1083	0.15
12	A'	1063	1031	8.10
13	A'	959	930	1.28
14	A'	894	866	0.58
15	A'	812	787	0.91
16	A'	705	684	38.61
17	A'	605	587	12.28
18	A'	141	137	0.26
19	A"	3150	3054	14.57
20	A"	3036	2943	44.86
21	A"	2989	2897	78.31
22	A"	1500	1454	0.63
23	A"	1372	1330	1.06
24	A"	1317	1277	0.78
25	A"	1297	1258	1.72
26	A"	1222	1185	0.02
27	A"	1145	1109	1.43
28	A"	1026	995	1.38
29	A"	952	923	0.19
30	A"	907	879	5.86
31	A"	883	856	3.99
32	A"	770	747	0.41
33	A"	382	371	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	-1.193	0.000
C2	-0.070	-0.310	1.245
C3	-0.070	-0.310	-1.245
C4	-0.070	1.103	0.672
C5	-0.070	1.103	-0.672
H6	1.340	-1.425	0.000
H7	-0.274	-2.148	0.000
H8	-1.059	-0.555	1.666
H9	-1.059	-0.555	-1.666
H10	-0.107	1.996	1.296
H11	-0.107	1.996	-1.296
H12	0.656	-0.441	-2.060
H13	0.656	-0.441	2.060

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5629	1.5629	2.4164	2.4164	1.0978	1.0966	2.2227	2.2227	3.4628	3.4628	2.2272	2.2272
C2	1.5629		2.4891	1.5246	2.3811	2.1862	2.2289	1.1027	3.0837	2.3067	3.4311	3.3855	1.0992
C3	1.5629	2.4891		2.3811	1.5246	2.1862	2.2289	3.0837	1.1027	3.4311	2.3067	1.0992	3.3855
C4	2.4164	1.5246	2.3811		1.3440	2.9717	3.3258	2.1712	3.0318	1.0899	2.1613	3.2206	2.1990
C5	2.4164	2.3811	1.5246	1.3440		2.9717	3.3258	3.0318	2.1712	2.1613	1.0899	2.1990	3.2206
H6	1.0978	2.1862	2.1862	2.9717	2.9717		1.7676	3.0474	3.0474	3.9340	3.9340	2.3831	2.3831
H7	1.0966	2.2289	2.2289	3.3258	3.3258	1.7676		2.4351	2.4351	4.3447	4.3447	2.8320	2.8320
H8	2.2227	1.1027	3.0837	2.1712	3.0318	3.0474	2.4351		3.3318	2.7474	4.0230	4.1029	1.7631
H9	2.2227	3.0837	1.1027	3.0318	2.1712	3.0474	2.4351	3.3318		4.0230	2.7474	1.7631	4.1029
H10	3.4628	2.3067	3.4311	1.0899	2.1613	3.9340	4.3447	2.7474	4.0230		2.5920	4.2166	2.6650
H11	3.4628	3.4311	2.3067	2.1613	1.0899	3.9340	4.3447	4.0230	2.7474	2.5920		2.6650	4.2166
H12	2.2272	3.3855	1.0992	3.2206	2.1990	2.3831	2.8320	4.1029	1.7631	4.2166	2.6650		4.1194
H13	2.2272	1.0992	3.3855	2.1990	3.2206	2.3831	2.8320	1.7631	4.1029	2.6650	4.2166	4.1194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.997	C1	C2	H8	111.835
C1	C2	H13	112.407	C1	C3	C5	102.997
C1	C3	H9	111.835	C1	C3	H12	112.407
C2	C1	C3	105.557	C2	C1	H6	109.257
C2	C1	H7	112.698	C2	C4	C5	112.058
C2	C4	H10	122.970	C3	C1	H6	109.257
C3	C1	H7	112.698	C3	C5	C4	112.058
C3	C5	H11	122.970	C4	C2	H8	110.434
C4	C2	H13	112.882	C4	C5	H11	124.928
C5	C3	H9	110.434	C5	C3	H12	112.882
C5	C4	H10	124.928	H6	C1	H7	107.324
H8	C2	H13	106.404	H9	C3	H12	106.404

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3LYP/CEP-121G*

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	-0.325
2	C	-0.332
3	C	-0.332
4	C	-0.156
5	C	-0.156
6	H	0.157
7	H	0.160
8	H	0.153
9	H	0.153
10	H	0.180
11	H	0.180
12	H	0.158
13	H	0.158

	x	y	z	Total
	-0.057	-0.211	0.000	0.218
CHELPG
AIM
ESP

	x	y	z
x	6.306	-0.090	0.000
y	-0.090	8.445	0.000
z	0.000	0.000	9.899

<r²>	90.320
(<r²>)^1/2	9.504

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3LYP/CEP-121G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)