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	hartrees
Energy at 0K	-195.334876
Energy at 298.15K	-195.343802
Nuclear repulsion energy	170.639987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3104	23.87
2	A'	3097	3004	41.57
3	A'	3059	2968	54.67
4	A'	3039	2948	7.13
5	A'	2996	2906	33.81
6	A'	1688	1638	2.07
7	A'	1478	1433	1.41
8	A'	1451	1408	0.96
9	A'	1320	1280	0.14
10	A'	1218	1182	1.34
11	A'	1114	1080	0.17
12	A'	1060	1028	5.02
13	A'	977	948	0.62
14	A'	910	883	0.39
15	A'	819	794	0.31
16	A'	713	692	25.01
17	A'	606	588	9.76
18	A'	149	144	0.19
19	A"	3174	3079	7.50
20	A"	3050	2959	34.58
21	A"	2998	2908	55.85
22	A"	1458	1414	1.11
23	A"	1371	1329	0.67
24	A"	1310	1271	0.71
25	A"	1292	1253	1.11
26	A"	1215	1179	0.02
27	A"	1137	1103	1.49
28	A"	1036	1005	2.17
29	A"	966	937	0.17
30	A"	917	890	7.81
31	A"	887	860	2.31
32	A"	779	756	0.23
33	A"	390	378	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.273	-1.203	0.000
C2	-0.070	-0.329	1.235
C3	-0.070	-0.329	-1.235
C4	-0.070	1.074	0.669
C5	-0.070	1.074	-0.669
H6	1.355	-1.419	0.000
H7	-0.251	-2.170	0.000
H8	-1.067	-0.575	1.651
H9	-1.067	-0.575	-1.651
H10	-0.109	1.969	1.296
H11	-0.109	1.969	-1.296
H12	0.648	-0.463	-2.061
H13	0.648	-0.463	2.061

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5512	1.5512	2.3983	2.3983	1.1024	1.1005	2.2172	2.2172	3.4475	3.4475	2.2220	2.2220
C2	1.5512		2.4695	1.5131	2.3654	2.1775	2.2241	1.1075	3.0627	2.2991	3.4186	3.3761	1.1034
C3	1.5512	2.4695		2.3654	1.5131	2.1775	2.2241	3.0627	1.1075	3.4186	2.2991	1.1034	3.3761
C4	2.3983	1.5131	2.3654		1.3386	2.9484	3.3178	2.1625	3.0160	1.0929	2.1597	3.2147	2.1946
C5	2.3983	2.3654	1.5131	1.3386		2.9484	3.3178	3.0160	2.1625	2.1597	1.0929	2.1946	3.2147
H6	1.1024	2.1775	2.1775	2.9484	2.9484		1.7731	3.0496	3.0496	3.9112	3.9112	2.3793	2.3793
H7	1.1005	2.2241	2.2241	3.3178	3.3178	1.7731		2.4363	2.4363	4.3395	4.3395	2.8238	2.8238
H8	2.2172	1.1075	3.0627	2.1625	3.0160	3.0496	2.4363		3.3018	2.7409	4.0089	4.0908	1.7671
H9	2.2172	3.0627	1.1075	3.0160	2.1625	3.0496	2.4363	3.3018		4.0089	2.7409	1.7671	4.0908
H10	3.4475	2.2991	3.4186	1.0929	2.1597	3.9112	4.3395	2.7409	4.0089		2.5921	4.2139	2.6592
H11	3.4475	3.4186	2.2991	2.1597	1.0929	3.9112	4.3395	4.0089	2.7409	2.5921		2.6592	4.2139
H12	2.2220	3.3761	1.1034	3.2147	2.1946	2.3793	2.8238	4.0908	1.7671	4.2139	2.6592		4.1225
H13	2.2220	1.1034	3.3761	2.1946	3.2147	2.3793	2.8238	1.7671	4.0908	2.6592	4.2139	4.1225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.003	C1	C2	H8	111.931
C1	C2	H13	112.569	C1	C3	C5	103.003
C1	C3	H9	111.931	C1	C3	H12	112.569
C2	C1	C3	105.502	C2	C1	H6	109.119
C2	C1	H7	112.920	C2	C4	C5	111.944
C2	C4	H10	123.014	C3	C1	H6	109.119
C3	C1	H7	112.920	C3	C5	C4	111.944
C3	C5	H11	123.014	C4	C2	H8	110.258
C4	C2	H13	113.087	C4	C5	H11	124.992
C5	C3	H9	110.258	C5	C3	H12	113.087
C5	C4	H10	124.992	H6	C1	H7	107.193
H8	C2	H13	106.126	H9	C3	H12	106.126

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3LYP/cc-pVDZ

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	-0.013
2	C	0.024
3	C	0.024
4	C	-0.023
5	C	-0.023
6	H	0.016
7	H	-0.000
8	H	0.020
9	H	0.020
10	H	-0.033
11	H	-0.033
12	H	0.012
13	H	0.012

	x	y	z	Total
	-0.044	-0.160	0.000	0.166
CHELPG
AIM
ESP

	x	y	z
x	5.769	-0.100	0.000
y	-0.100	7.959	0.000
z	0.000	0.000	9.349

<r²>	105.710
(<r²>)^1/2	10.282

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)