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	hartrees
Energy at 0K	-195.265104
Energy at 298.15K	-195.273946
HF Energy	-195.265104
Nuclear repulsion energy	171.027966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3102	30.77
2	A'	3049	3006	47.49
3	A'	3010	2968	63.93
4	A'	2990	2948	5.10
5	A'	2947	2905	36.78
6	A'	1638	1615	2.98
7	A'	1476	1456	1.72
8	A'	1453	1433	0.92
9	A'	1294	1276	0.60
10	A'	1205	1188	1.48
11	A'	1106	1091	0.11
12	A'	1046	1031	6.41
13	A'	957	943	0.82
14	A'	885	873	0.51
15	A'	804	793	0.57
16	A'	694	685	29.34
17	A'	602	593	12.24
18	A'	131	129	0.19
19	A"	3121	3077	11.06
20	A"	2998	2956	41.68
21	A"	2948	2907	62.14
22	A"	1457	1437	1.44
23	A"	1351	1332	1.09
24	A"	1290	1272	0.03
25	A"	1280	1262	2.02
26	A"	1196	1180	0.07
27	A"	1127	1112	1.45
28	A"	1014	1000	2.15
29	A"	941	928	0.07
30	A"	900	888	6.90
31	A"	873	861	3.91
32	A"	771	760	0.32
33	A"	383	377	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.260	-1.207	0.000
C2	-0.067	-0.326	1.235
C3	-0.067	-0.326	-1.235
C4	-0.067	1.073	0.668
C5	-0.067	1.073	-0.668
H6	1.328	-1.446	0.000
H7	-0.287	-2.153	0.000
H8	-1.053	-0.567	1.660
H9	-1.053	-0.567	-1.660
H10	-0.105	1.962	1.292
H11	-0.105	1.962	-1.292
H12	0.658	-0.458	-2.047
H13	0.658	-0.458	2.047

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5514	1.5514	2.3978	2.3978	1.0948	1.0931	2.2102	2.2102	3.4406	3.4406	2.2153	2.2153
C2	1.5514		2.4700	1.5097	2.3618	2.1735	2.2163	1.1004	3.0675	2.2886	3.4085	3.3634	1.0963
C3	1.5514	2.4700		2.3618	1.5097	2.1735	2.2163	3.0675	1.1004	3.4085	2.2886	1.0963	3.3634
C4	2.3978	1.5097	2.3618		1.3355	2.9557	3.3019	2.1557	3.0133	1.0862	2.1517	3.2000	2.1847
C5	2.3978	2.3618	1.5097	1.3355		2.9557	3.3019	3.0133	2.1557	2.1517	1.0862	2.1847	3.2000
H6	1.0948	2.1735	2.1735	2.9557	2.9557		1.7631	3.0320	3.0320	3.9157	3.9157	2.3691	2.3691
H7	1.0931	2.2163	2.2163	3.3019	3.3019	1.7631		2.4197	2.4197	4.3163	4.3163	2.8204	2.8204
H8	2.2102	1.1004	3.0675	2.1557	3.0133	3.0320	2.4197		3.3194	2.7254	4.0003	4.0837	1.7575
H9	2.2102	3.0675	1.1004	3.0133	2.1557	3.0320	2.4197	3.3194		4.0003	2.7254	1.7575	4.0837
H10	3.4406	2.2886	3.4085	1.0862	2.1517	3.9157	4.3163	2.7254	4.0003		2.5831	4.1933	2.6476
H11	3.4406	3.4085	2.2886	2.1517	1.0862	3.9157	4.3163	4.0003	2.7254	2.5831		2.6476	4.1933
H12	2.2153	3.3634	1.0963	3.2000	2.1847	2.3691	2.8204	4.0837	1.7575	4.1933	2.6476		4.0934
H13	2.2153	1.0963	3.3634	2.1847	3.2000	2.3691	2.8204	1.7575	4.0837	2.6476	4.1933	4.0934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.102	C1	C2	H8	111.702
C1	C2	H13	112.496	C1	C3	C5	103.102
C1	C3	H9	111.702	C1	C3	H12	112.496
C2	C1	C3	105.413	C2	C1	H6	109.061
C2	C1	H7	112.933	C2	C4	C5	111.971
C2	C4	H10	122.956	C3	C1	H6	109.061
C3	C1	H7	112.933	C3	C5	C4	111.971
C3	C5	H11	122.956	C4	C2	H8	110.279
C4	C2	H13	113.060	C4	C5	H11	125.029
C5	C3	H9	110.279	C5	C3	H12	113.060
C5	C4	H10	125.029	H6	C1	H7	107.361
H8	C2	H13	106.319	H9	C3	H12	106.319

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B97D3/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
1	C	-0.127
2	C	-0.108
3	C	-0.108
4	C	-0.128
5	C	-0.128
6	H	0.071
7	H	0.068
8	H	0.068
9	H	0.068
10	H	0.094
11	H	0.094
12	H	0.068
13	H	0.068

	x	y	z	Total
	-0.053	-0.212	0.000	0.218
CHELPG
AIM
ESP

	x	y	z
x	6.536	-0.114	0.000
y	-0.114	8.748	0.000
z	0.000	0.000	10.009

<r²>	105.420
(<r²>)^1/2	10.267

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)