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	hartrees
Energy at 0K	-194.040603
Energy at 298.15K	-194.049585
HF Energy	-194.040603
Nuclear repulsion energy	170.678324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3132	17.00
2	A'	3162	3046	26.34
3	A'	3119	3005	33.15
4	A'	3098	2984	9.44
5	A'	3059	2947	15.71
6	A'	1701	1639	0.26
7	A'	1552	1495	3.89
8	A'	1528	1472	2.33
9	A'	1340	1291	5.47
10	A'	1275	1229	1.39
11	A'	1165	1122	0.12
12	A'	1084	1044	5.11
13	A'	983	947	1.63
14	A'	912	879	0.83
15	A'	837	806	0.26
16	A'	735	708	43.66
17	A'	623	600	19.60
18	A'	133	128	0.21
19	A"	3222	3104	3.63
20	A"	3113	2999	15.49
21	A"	3060	2947	42.13
22	A"	1535	1478	4.49
23	A"	1399	1348	3.59
24	A"	1360	1310	1.11
25	A"	1345	1295	4.12
26	A"	1244	1198	0.01
27	A"	1206	1162	1.76
28	A"	1056	1017	1.08
29	A"	1001	964	0.06
30	A"	926	892	5.22
31	A"	902	869	5.43
32	A"	805	775	0.47
33	A"	392	377	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.263	-1.211	0.000
C2	-0.068	-0.328	1.241
C3	-0.068	-0.328	-1.241
C4	-0.068	1.078	0.668
C5	-0.068	1.078	-0.668
H6	1.334	-1.440	0.000
H7	-0.290	-2.155	0.000
H8	-1.058	-0.570	1.656
H9	-1.058	-0.570	-1.656
H10	-0.102	1.961	1.295
H11	-0.102	1.961	-1.295
H12	0.667	-0.456	-2.044
H13	0.667	-0.456	2.044

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5579	1.5579	2.4064	2.4064	1.0959	1.0940	2.2124	2.2124	3.4451	3.4451	2.2161	2.2161
C2	1.5579		2.4813	1.5182	2.3702	2.1774	2.2191	1.1000	3.0703	2.2901	3.4164	3.3686	1.0967
C3	1.5579	2.4813		2.3702	1.5182	2.1774	2.2191	3.0703	1.1000	3.4164	2.2901	1.0967	3.3686
C4	2.4064	1.5182	2.3702		1.3351	2.9578	3.3080	2.1611	3.0152	1.0841	2.1526	3.2011	2.1883
C5	2.4064	2.3702	1.5182	1.3351		2.9578	3.3080	3.0152	2.1611	2.1526	1.0841	2.1883	3.2011
H6	1.0959	2.1774	2.1774	2.9578	2.9578		1.7750	3.0363	3.0363	3.9121	3.9121	2.3644	2.3644
H7	1.0940	2.2191	2.2191	3.3080	3.3080	1.7750		2.4169	2.4169	4.3187	4.3187	2.8249	2.8249
H8	2.2124	1.1000	3.0703	2.1611	3.0152	3.0363	2.4169		3.3114	2.7292	4.0033	4.0838	1.7718
H9	2.2124	3.0703	1.1000	3.0152	2.1611	3.0363	2.4169	3.3114		4.0033	2.7292	1.7718	4.0838
H10	3.4451	2.2901	3.4164	1.0841	2.1526	3.9121	4.3187	2.7292	4.0033		2.5903	4.1936	2.6450
H11	3.4451	3.4164	2.2901	2.1526	1.0841	3.9121	4.3187	4.0033	2.7292	2.5903		2.6450	4.1936
H12	2.2161	3.3686	1.0967	3.2011	2.1883	2.3644	2.8249	4.0838	1.7718	4.1936	2.6450		4.0883
H13	2.2161	1.0967	3.3686	2.1883	3.2011	2.3644	2.8249	1.7718	4.0838	2.6450	4.1936	4.0883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.935	C1	C2	H8	111.524
C1	C2	H13	112.022	C1	C3	C5	102.935
C1	C3	H9	111.524	C1	C3	H12	112.022
C2	C1	C3	105.566	C2	C1	H6	109.021
C2	C1	H7	112.426	C2	C4	C5	112.179
C2	C4	H10	122.410	C3	C1	H6	109.021
C3	C1	H7	112.426	C3	C5	C4	112.179
C3	C5	H11	122.410	C4	C2	H8	110.242
C4	C2	H13	112.626	C4	C5	H11	125.374
C5	C3	H9	110.242	C5	C3	H12	112.626
C5	C4	H10	125.374	H6	C1	H7	108.290
H8	C2	H13	107.527	H9	C3	H12	107.527

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: HSEh1PBE/3-21G

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	-0.431
2	C	-0.469
3	C	-0.469
4	C	-0.191
5	C	-0.191
6	H	0.227
7	H	0.216
8	H	0.227
9	H	0.227
10	H	0.206
11	H	0.206
12	H	0.221
13	H	0.221

	x	y	z	Total
	-0.058	-0.171	0.000	0.180
CHELPG
AIM
ESP

	x	y	z
x	4.933	-0.053	0.000
y	-0.053	6.919	0.000
z	0.000	0.000	8.387

<r²>	105.349
(<r²>)^1/2	10.264

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)