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	hartrees
Energy at 0K	-194.045633
Energy at 298.15K	-194.054854
HF Energy	-194.045633
Nuclear repulsion energy	172.227725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3022	23.74
2	A'	3222	2914	69.81
3	A'	3194	2889	66.67
4	A'	3170	2867	8.30
5	A'	3142	2842	34.78
6	A'	1815	1642	4.34
7	A'	1634	1478	0.92
8	A'	1605	1452	1.28
9	A'	1459	1320	0.28
10	A'	1339	1211	2.26
11	A'	1219	1103	0.11
12	A'	1171	1059	12.72
13	A'	1029	931	1.87
14	A'	958	867	0.58
15	A'	885	800	2.86
16	A'	785	710	41.08
17	A'	661	598	9.51
18	A'	153	138	0.17
19	A"	3314	2998	11.34
20	A"	3184	2880	46.86
21	A"	3144	2844	70.60
22	A"	1614	1460	0.60
23	A"	1503	1360	3.08
24	A"	1439	1302	0.88
25	A"	1428	1292	2.08
26	A"	1339	1211	0.00
27	A"	1253	1133	1.89
28	A"	1108	1002	2.25
29	A"	1090	986	0.00
30	A"	979	886	3.03
31	A"	953	862	5.90
32	A"	838	758	0.39
33	A"	424	384	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.258	-1.201	0.000
C2	-0.067	-0.326	1.229
C3	-0.067	-0.326	-1.229
C4	-0.067	1.070	0.658
C5	-0.067	1.070	-0.658
H6	1.315	-1.438	0.000
H7	-0.283	-2.139	0.000
H8	-1.041	-0.563	1.650
H9	-1.041	-0.563	-1.650
H10	-0.100	1.950	1.272
H11	-0.100	1.950	-1.272
H12	0.656	-0.454	-2.026
H13	0.656	-0.454	2.026

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5428	1.5428	2.3864	2.3864	1.0832	1.0819	2.1942	2.1942	3.4170	3.4170	2.1961	2.1961
C2	1.5428		2.4573	1.5082	2.3469	2.1574	2.1999	1.0869	3.0478	2.2771	3.3816	3.3366	1.0839
C3	1.5428	2.4573		2.3469	1.5082	2.1574	2.1999	3.0478	1.0869	3.3816	2.2771	1.0839	3.3366
C4	2.3864	1.5082	2.3469		1.3158	2.9378	3.2820	2.1442	2.9899	1.0738	2.1213	3.1698	2.1715
C5	2.3864	2.3469	1.5082	1.3158		2.9378	3.2820	2.9899	2.1442	2.1213	1.0738	2.1715	3.1698
H6	1.0832	2.1574	2.1574	2.9378	2.9378		1.7440	3.0057	3.0057	3.8858	3.8858	2.3471	2.3471
H7	1.0819	2.1999	2.1999	3.2820	3.2820	1.7440		2.4037	2.4037	4.2856	4.2856	2.7973	2.7973
H8	2.1942	1.0869	3.0478	2.1442	2.9899	3.0057	2.4037		3.2995	2.7098	3.9668	4.0500	1.7411
H9	2.1942	3.0478	1.0869	2.9899	2.1442	3.0057	2.4037	3.2995		3.9668	2.7098	1.7411	4.0500
H10	3.4170	2.2771	3.3816	1.0738	2.1213	3.8858	4.2856	2.7098	3.9668		2.5435	4.1505	2.6305
H11	3.4170	3.3816	2.2771	2.1213	1.0738	3.8858	4.2856	3.9668	2.7098	2.5435		2.6305	4.1505
H12	2.1961	3.3366	1.0839	3.1698	2.1715	2.3471	2.7973	4.0500	1.7411	4.1505	2.6305		4.0525
H13	2.1961	1.0839	3.3366	2.1715	3.1698	2.3471	2.7973	1.7411	4.0500	2.6305	4.1505	4.0525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.915	C1	C2	H8	111.935
C1	C2	H13	112.279	C1	C3	C5	102.915
C1	C3	H9	111.935	C1	C3	H12	112.279
C2	C1	C3	105.571	C2	C1	H6	109.231
C2	C1	H7	112.715	C2	C4	C5	112.235
C2	C4	H10	122.862	C3	C1	H6	109.231
C3	C1	H7	112.715	C3	C5	C4	112.235
C3	C5	H11	122.862	C4	C2	H8	110.378
C4	C2	H13	112.782	C4	C5	H11	124.866
C5	C3	H9	110.378	C5	C3	H12	112.782
C5	C4	H10	124.866	H6	C1	H7	107.324
H8	C2	H13	106.655	H9	C3	H12	106.655

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: HF/daug-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	-0.914
2	C	-0.717
3	C	-0.717
4	C	-0.515
5	C	-0.515
6	H	0.519
7	H	0.386
8	H	0.357
9	H	0.357
10	H	0.695
11	H	0.695
12	H	0.186
13	H	0.186

	x	y	z	Total
	-0.065	-0.220	0.000	0.229
CHELPG
AIM
ESP

	x	y	z
x	6.770	-0.104	0.000
y	-0.104	8.276	0.000
z	0.000	0.000	9.633

<r²>	104.392
(<r²>)^1/2	10.217

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)