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	hartrees
Energy at 0K	-195.399620
Energy at 298.15K	-195.408563
Nuclear repulsion energy	171.418719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3086	23.31
2	A'	3091	2987	42.69
3	A'	3056	2954	55.56
4	A'	3036	2935	3.85
5	A'	2997	2897	31.41
6	A'	1681	1624	2.46
7	A'	1510	1460	2.06
8	A'	1487	1437	1.05
9	A'	1329	1284	0.81
10	A'	1232	1191	1.53
11	A'	1133	1095	0.09
12	A'	1072	1036	7.25
13	A'	973	941	0.95
14	A'	902	872	0.50
15	A'	820	792	0.93
16	A'	716	692	31.46
17	A'	620	599	11.60
18	A'	134	130	0.18
19	A"	3168	3062	8.10
20	A"	3044	2942	37.58
21	A"	2999	2899	53.11
22	A"	1491	1441	2.00
23	A"	1384	1338	1.65
24	A"	1321	1277	0.12
25	A"	1312	1268	2.12
26	A"	1228	1187	0.03
27	A"	1155	1116	1.38
28	A"	1035	1000	2.14
29	A"	980	947	0.05
30	A"	918	887	6.56
31	A"	892	862	4.26
32	A"	786	760	0.34
33	A"	394	381	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.248	-1.208	0.000
C2	-0.064	-0.324	1.234
C3	-0.064	-0.324	-1.234
C4	-0.064	1.072	0.664
C5	-0.064	1.072	-0.664
H6	1.307	-1.468	0.000
H7	-0.313	-2.141	0.000
H8	-1.041	-0.560	1.669
H9	-1.041	-0.560	-1.669
H10	-0.099	1.958	1.284
H11	-0.099	1.958	-1.284
H12	0.667	-0.456	-2.035
H13	0.667	-0.456	2.035

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5491	1.5491	2.3949	2.3949	1.0906	1.0892	2.2059	2.2059	3.4339	3.4339	2.2093	2.2093
C2	1.5491		2.4678	1.5081	2.3565	2.1698	2.2106	1.0957	3.0723	2.2833	3.3987	3.3520	1.0921
C3	1.5491	2.4678		2.3565	1.5081	2.1698	2.2106	3.0723	1.0957	3.3987	2.2833	1.0921	3.3520
C4	2.3949	1.5081	2.3565		1.3285	2.9614	3.2909	2.1518	3.0109	1.0819	2.1406	3.1866	2.1790
C5	2.3949	2.3565	1.5081	1.3285		2.9614	3.2909	3.0109	2.1518	2.1406	1.0819	2.1790	3.1866
H6	1.0906	2.1698	2.1698	2.9614	2.9614		1.7544	3.0203	3.0203	3.9195	3.9195	2.3608	2.3608
H7	1.0892	2.2106	2.2106	3.2909	3.2909	1.7544		2.4116	2.4116	4.3013	4.3013	2.8180	2.8180
H8	2.2059	1.0957	3.0723	2.1518	3.0109	3.0203	2.4116		3.3384	2.7164	3.9940	4.0802	1.7498
H9	2.2059	3.0723	1.0957	3.0109	2.1518	3.0203	2.4116	3.3384		3.9940	2.7164	1.7498	4.0802
H10	3.4339	2.2833	3.3987	1.0819	2.1406	3.9195	4.3013	2.7164	3.9940		2.5681	4.1750	2.6419
H11	3.4339	3.3987	2.2833	2.1406	1.0819	3.9195	4.3013	3.9940	2.7164	2.5681		2.6419	4.1750
H12	2.2093	3.3520	1.0921	3.1866	2.1790	2.3608	2.8180	4.0802	1.7498	4.1750	2.6419		4.0697
H13	2.2093	1.0921	3.3520	2.1790	3.1866	2.3608	2.8180	1.7498	4.0802	2.6419	4.1750	4.0697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.130	C1	C2	H8	111.892
C1	C2	H13	112.389	C1	C3	C5	103.130
C1	C3	H9	111.892	C1	C3	H12	112.389
C2	C1	C3	105.596	C2	C1	H6	109.337
C2	C1	H7	112.669	C2	C4	C5	112.191
C2	C4	H10	122.817	C3	C1	H6	109.337
C3	C1	H7	112.669	C3	C5	C4	112.191
C3	C5	H11	122.817	C4	C2	H8	110.458
C4	C2	H13	112.879	C4	C5	H11	124.951
C5	C3	H9	110.458	C5	C3	H12	112.879
C5	C4	H10	124.951	H6	C1	H7	107.195
H8	C2	H13	106.224	H9	C3	H12	106.224

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3LYP/cc-pVTZ

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	ESP
1	C	-0.167	-0.115
2	C	-0.148	0.202
3	C	-0.148	0.202
4	C	-0.141	-0.238
5	C	-0.141	-0.238
6	H	0.088	0.032
7	H	0.089	0.005
8	H	0.086	-0.016
9	H	0.086	-0.016
10	H	0.112	0.120
11	H	0.112	0.120
12	H	0.087	-0.030
13	H	0.087	-0.030

	x	y	z	Total
	-0.050	-0.198	0.000	0.204
CHELPG
AIM
ESP	-0.070	-0.225	0.000	0.236

	x	y	z
x	6.406	-0.108	0.000
y	-0.108	8.488	0.000
z	0.000	0.000	9.793

<r²>	105.182
(<r²>)^1/2	10.256

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)