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	hartrees
Energy at 0K	-195.368857
Energy at 298.15K	-195.377787
Nuclear repulsion energy	171.066479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3082	32.41
2	A'	3093	2989	55.64
3	A'	3058	2955	67.68
4	A'	3037	2935	5.66
5	A'	2999	2898	39.18
6	A'	1684	1628	1.69
7	A'	1525	1473	2.37
8	A'	1499	1449	1.56
9	A'	1335	1290	0.93
10	A'	1242	1200	1.50
11	A'	1133	1094	0.11
12	A'	1075	1039	6.70
13	A'	975	942	1.13
14	A'	906	875	0.59
15	A'	824	796	0.68
16	A'	711	687	35.41
17	A'	618	597	13.96
18	A'	140	136	0.20
19	A"	3164	3058	12.55
20	A"	3046	2943	43.19
21	A"	3001	2900	61.94
22	A"	1505	1454	2.01
23	A"	1386	1339	1.99
24	A"	1329	1284	0.18
25	A"	1317	1272	2.54
26	A"	1234	1193	0.01
27	A"	1165	1126	1.47
28	A"	1040	1005	1.69
29	A"	964	932	0.09
30	A"	920	889	6.21
31	A"	896	866	4.45
32	A"	785	759	0.32
33	A"	392	379	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.257	-1.207	0.000
C2	-0.066	-0.326	1.235
C3	-0.066	-0.326	-1.235
C4	-0.066	1.074	0.666
C5	-0.066	1.074	-0.666
H6	1.322	-1.455	0.000
H7	-0.292	-2.152	0.000
H8	-1.049	-0.567	1.664
H9	-1.049	-0.567	-1.664
H10	-0.103	1.962	1.289
H11	-0.103	1.962	-1.289
H12	0.660	-0.459	-2.044
H13	0.660	-0.459	2.044

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5513	1.5513	2.3986	2.3986	1.0936	1.0922	2.2099	2.2099	3.4406	3.4406	2.2142	2.2142
C2	1.5513		2.4704	1.5117	2.3610	2.1739	2.2159	1.0987	3.0707	2.2894	3.4072	3.3615	1.0951
C3	1.5513	2.4704		2.3610	1.5117	2.1739	2.2159	3.0707	1.0987	3.4072	2.2894	1.0951	3.3615
C4	2.3986	1.5117	2.3610		1.3315	2.9605	3.3019	2.1574	3.0143	1.0855	2.1472	3.1971	2.1856
C5	2.3986	2.3610	1.5117	1.3315		2.9605	3.3019	3.0143	2.1574	2.1472	1.0855	2.1856	3.1971
H6	1.0936	2.1739	2.1739	2.9605	2.9605		1.7580	3.0294	3.0294	3.9199	3.9199	2.3685	2.3685
H7	1.0922	2.2159	2.2159	3.3019	3.3019	1.7580		2.4198	2.4198	4.3156	4.3156	2.8200	2.8200
H8	2.2099	1.0987	3.0707	2.1574	3.0143	3.0294	2.4198		3.3284	2.7261	4.0013	4.0845	1.7535
H9	2.2099	3.0707	1.0987	3.0143	2.1574	3.0294	2.4198	3.3284		4.0013	2.7261	1.7535	4.0845
H10	3.4406	2.2894	3.4072	1.0855	2.1472	3.9199	4.3156	2.7261	4.0013		2.5775	4.1895	2.6482
H11	3.4406	3.4072	2.2894	2.1472	1.0855	3.9199	4.3156	4.0013	2.7261	2.5775		2.6482	4.1895
H12	2.2142	3.3615	1.0951	3.1971	2.1856	2.3685	2.8200	4.0845	1.7535	4.1895	2.6482		4.0887
H13	2.2142	1.0951	3.3615	2.1856	3.1971	2.3685	2.8200	1.7535	4.0845	2.6482	4.1895	4.0887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.081	C1	C2	H8	111.877
C1	C2	H13	112.439	C1	C3	C5	103.081
C1	C3	H9	111.877	C1	C3	H12	112.439
C2	C1	C3	105.542	C2	C1	H6	109.333
C2	C1	H7	112.756	C2	C4	C5	112.128
C2	C4	H10	122.804	C3	C1	H6	109.333
C3	C1	H7	112.756	C3	C5	C4	112.128
C3	C5	H11	122.804	C4	C2	H8	110.480
C4	C2	H13	112.977	C4	C5	H11	125.025
C5	C3	H9	110.480	C5	C3	H12	112.977
C5	C4	H10	125.025	H6	C1	H7	107.081
H8	C2	H13	106.125	H9	C3	H12	106.125

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3LYP/6-311G*

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	-0.419	-0.098
2	C	-0.422	0.182
3	C	-0.422	0.182
4	C	-0.175	-0.249
5	C	-0.175	-0.249
6	H	0.210	0.031
7	H	0.207	0.003
8	H	0.206	-0.009
9	H	0.206	-0.009
10	H	0.185	0.132
11	H	0.185	0.132
12	H	0.208	-0.024
13	H	0.208	-0.024

	x	y	z	Total
	-0.049	-0.151	0.000	0.158
CHELPG
AIM
ESP	-0.074	-0.174	0.000	0.189

	x	y	z
x	5.903	-0.089	0.000
y	-0.089	7.981	0.000
z	0.000	0.000	9.392

<r²>	105.494
(<r²>)^1/2	10.271

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)