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	hartrees
Energy at 0K	-195.279735
Energy at 298.15K	-195.288742
HF Energy	-195.279735
Nuclear repulsion energy	171.290701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3084	23.72
2	A'	3145	2996	42.68
3	A'	3108	2961	44.31
4	A'	3084	2938	19.40
5	A'	3047	2903	26.40
6	A'	1716	1635	3.86
7	A'	1526	1453	2.50
8	A'	1495	1425	2.10
9	A'	1344	1280	1.54
10	A'	1240	1181	1.98
11	A'	1129	1075	0.29
12	A'	1079	1028	9.11
13	A'	987	940	1.60
14	A'	920	876	0.73
15	A'	838	798	1.27
16	A'	722	687	43.82
17	A'	616	587	13.29
18	A'	163	155	0.31
19	A"	3212	3060	8.11
20	A"	3104	2957	27.95
21	A"	3049	2904	63.89
22	A"	1501	1430	2.78
23	A"	1387	1321	2.52
24	A"	1329	1266	0.47
25	A"	1311	1248	1.69
26	A"	1235	1176	0.02
27	A"	1160	1105	1.89
28	A"	1054	1004	1.78
29	A"	985	939	0.04
30	A"	928	884	9.10
31	A"	903	860	3.29
32	A"	782	745	0.36
33	A"	394	376	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	-1.200	0.000
C2	-0.071	-0.329	1.230
C3	-0.071	-0.329	-1.230
C4	-0.071	1.072	0.667
C5	-0.071	1.072	-0.667
H6	1.348	-1.410	0.000
H7	-0.247	-2.161	0.000
H8	-1.061	-0.574	1.639
H9	-1.061	-0.574	-1.639
H10	-0.104	1.961	1.289
H11	-0.104	1.961	-1.289
H12	0.646	-0.460	-2.048
H13	0.646	-0.460	2.048

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5466	1.5466	2.3931	2.3931	1.0948	1.0934	2.2050	2.2050	3.4346	3.4346	2.2092	2.2092
C2	1.5466		2.4609	1.5103	2.3585	2.1675	2.2141	1.0987	3.0454	2.2909	3.4047	3.3584	1.0954
C3	1.5466	2.4609		2.3585	1.5103	2.1675	2.2141	3.0454	1.0987	3.4047	2.2909	1.0954	3.3584
C4	2.3931	1.5103	2.3585		1.3334	2.9362	3.3061	2.1527	3.0009	1.0854	2.1483	3.1985	2.1838
C5	2.3931	2.3585	1.5103	1.3334		2.9362	3.3061	3.0009	2.1527	2.1483	1.0854	2.1838	3.1985
H6	1.0948	2.1675	2.1675	2.9362	2.9362		1.7638	3.0320	3.0320	3.8904	3.8904	2.3643	2.3643
H7	1.0934	2.2141	2.2141	3.3061	3.3061	1.7638		2.4228	2.4228	4.3213	4.3213	2.8084	2.8084
H8	2.2050	1.0987	3.0454	2.1527	3.0009	3.0320	2.4228		3.2783	2.7316	3.9890	4.0648	1.7593
H9	2.2050	3.0454	1.0987	3.0009	2.1527	3.0320	2.4228	3.2783		3.9890	2.7316	1.7593	4.0648
H10	3.4346	2.2909	3.4047	1.0854	2.1483	3.8904	4.3213	2.7316	3.9890		2.5777	4.1901	2.6456
H11	3.4346	3.4047	2.2909	2.1483	1.0854	3.8904	4.3213	3.9890	2.7316	2.5777		2.6456	4.1901
H12	2.2092	3.3584	1.0954	3.1985	2.1838	2.3643	2.8084	4.0648	1.7593	4.1901	2.6456		4.0957
H13	2.2092	1.0954	3.3584	2.1838	3.1985	2.3643	2.8084	1.7593	4.0648	2.6456	4.1901	4.0957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.037	C1	C2	H8	111.819
C1	C2	H13	112.351	C1	C3	C5	103.037
C1	C3	H9	111.819	C1	C3	H12	112.351
C2	C1	C3	105.420	C2	C1	H6	109.087
C2	C1	H7	112.874	C2	C4	C5	111.917
C2	C4	H10	123.075	C3	C1	H6	109.087
C3	C1	H7	112.874	C3	C5	C4	111.917
C3	C5	H11	123.075	C4	C2	H8	110.200
C4	C2	H13	112.913	C4	C5	H11	124.972
C5	C3	H9	110.200	C5	C3	H12	112.913
C5	C4	H10	124.972	H6	C1	H7	107.424
H8	C2	H13	106.620	H9	C3	H12	106.620

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: wB97X-D/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	-0.347
2	C	-0.347
3	C	-0.347
4	C	-0.101
5	C	-0.101
6	H	0.163
7	H	0.152
8	H	0.161
9	H	0.161
10	H	0.148
11	H	0.148
12	H	0.155
13	H	0.155

	x	y	z	Total
	-0.082	-0.256	0.000	0.269
CHELPG
AIM
ESP

	x	y	z
x	6.662	-0.075	0.000
y	-0.075	8.196	0.000
z	0.000	0.000	9.672

<r²>	105.009
(<r²>)^1/2	10.247

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)