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	hartrees
Energy at 0K	-195.295900
Energy at 298.15K	-195.304797
Nuclear repulsion energy	169.720605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3106	33.32
2	A'	3130	3009	75.27
3	A'	3084	2965	67.33
4	A'	3064	2945	26.57
5	A'	3028	2910	23.16
6	A'	1678	1613	2.55
7	A'	1530	1470	5.08
8	A'	1509	1451	1.81
9	A'	1337	1285	4.31
10	A'	1234	1186	1.54
11	A'	1137	1093	0.29
12	A'	1084	1042	7.15
13	A'	989	951	3.02
14	A'	906	871	1.48
15	A'	820	789	0.34
16	A'	723	695	54.64
17	A'	637	612	23.38
18	A'	117	113	0.34
19	A"	3195	3071	8.58
20	A"	3079	2959	20.77
21	A"	3028	2910	86.75
22	A"	1515	1456	7.54
23	A"	1383	1330	4.43
24	A"	1333	1281	1.83
25	A"	1314	1263	0.85
26	A"	1233	1185	0.02
27	A"	1159	1114	0.96
28	A"	1068	1027	1.48
29	A"	989	951	0.00
30	A"	929	893	12.17
31	A"	903	868	4.68
32	A"	785	755	0.96
33	A"	387	372	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.225	-1.225	0.000
C2	-0.058	-0.326	1.248
C3	-0.058	-0.326	-1.248
C4	-0.058	1.085	0.675
C5	-0.058	1.085	-0.675
H6	1.279	-1.531	0.000
H7	-0.383	-2.137	0.000
H8	-1.034	-0.558	1.705
H9	-1.034	-0.558	-1.705
H10	-0.086	1.974	1.300
H11	-0.086	1.974	-1.300
H12	0.697	-0.461	-2.035
H13	0.697	-0.461	2.035

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5641	1.5641	2.4229	2.4229	1.0971	1.0961	2.2217	2.2217	3.4671	3.4671	2.2241	2.2241
C2	1.5641		2.4965	1.5228	2.3853	2.1906	2.2231	1.1015	3.1187	2.3010	3.4331	3.3714	1.0987
C3	1.5641	2.4965		2.3853	1.5228	2.1906	2.2231	3.1187	1.1015	3.4331	2.3010	1.0987	3.3714
C4	2.4229	1.5228	2.3853		1.3501	3.0145	3.3075	2.1705	3.0520	1.0875	2.1664	3.2096	2.1926
C5	2.4229	2.3853	1.5228	1.3501		3.0145	3.3075	3.0520	2.1705	2.1664	1.0875	2.1926	3.2096
H6	1.0971	2.1906	2.1906	3.0145	3.0145		1.7685	3.0332	3.0332	3.9799	3.9799	2.3717	2.3717
H7	1.0961	2.2231	2.2231	3.3075	3.3075	1.7685		2.4129	2.4129	4.3220	4.3220	2.8488	2.8488
H8	2.2217	1.1015	3.1187	2.1705	3.0520	3.0332	2.4129		3.4099	2.7342	4.0425	4.1218	1.7643
H9	2.2217	3.1187	1.1015	3.0520	2.1705	3.0332	2.4129	3.4099		4.0425	2.7342	1.7643	4.1218
H10	3.4671	2.3010	3.4331	1.0875	2.1664	3.9799	4.3220	2.7342	4.0425		2.6001	4.2026	2.6609
H11	3.4671	3.4331	2.3010	2.1664	1.0875	3.9799	4.3220	4.0425	2.7342	2.6001		2.6609	4.2026
H12	2.2241	3.3714	1.0987	3.2096	2.1926	2.3717	2.8488	4.1218	1.7643	4.2026	2.6609		4.0694
H13	2.2241	1.0987	3.3714	2.1926	3.2096	2.3717	2.8488	1.7643	4.1218	2.6609	4.2026	4.0694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.413	C1	C2	H8	111.736
C1	C2	H13	112.095	C1	C3	C5	103.413
C1	C3	H9	111.736	C1	C3	H12	112.095
C2	C1	C3	105.890	C2	C1	H6	109.552
C2	C1	H7	112.178	C2	C4	C5	112.111
C2	C4	H10	122.785	C3	C1	H6	109.552
C3	C1	H7	112.178	C3	C5	C4	112.111
C3	C5	H11	122.785	C4	C2	H8	110.571
C4	C2	H13	112.514	C4	C5	H11	125.080
C5	C3	H9	110.571	C5	C3	H12	112.514
C5	C4	H10	125.080	H6	C1	H7	107.476
H8	C2	H13	106.619	H9	C3	H12	106.619

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3LYP/LANL2DZ

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	-0.403
2	C	-0.408
3	C	-0.408
4	C	-0.208
5	C	-0.208
6	H	0.201
7	H	0.199
8	H	0.197
9	H	0.197
10	H	0.221
11	H	0.221
12	H	0.199
13	H	0.199

	x	y	z	Total
	-0.056	-0.302	0.000	0.308
CHELPG
AIM
ESP

	x	y	z
x	5.241	-0.063	0.000
y	-0.063	7.336	0.000
z	0.000	0.000	8.853

<r²>	106.419
(<r²>)^1/2	10.316

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)