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	hartrees
Energy at 0K	-193.977342
Energy at 298.15K	-193.986558
HF Energy	-193.977342
Nuclear repulsion energy	171.908569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3045	31.84
2	A'	3270	2938	73.57
3	A'	3239	2910	72.39
4	A'	3216	2890	12.63
5	A'	3188	2864	36.66
6	A'	1852	1664	1.32
7	A'	1663	1494	0.16
8	A'	1631	1466	0.68
9	A'	1479	1329	0.04
10	A'	1353	1216	1.62
11	A'	1234	1108	0.06
12	A'	1183	1063	10.01
13	A'	1041	935	1.46
14	A'	965	867	0.56
15	A'	892	802	2.45
16	A'	790	710	33.30
17	A'	663	596	7.54
18	A'	150	135	0.11
19	A"	3362	3021	12.75
20	A"	3229	2901	41.13
21	A"	3188	2865	78.91
22	A"	1643	1476	0.04
23	A"	1520	1365	1.71
24	A"	1459	1311	1.46
25	A"	1443	1297	2.16
26	A"	1354	1217	0.00
27	A"	1266	1137	1.76
28	A"	1120	1006	1.64
29	A"	1092	981	0.04
30	A"	990	890	2.49
31	A"	966	868	4.70
32	A"	837	752	0.34
33	A"	422	379	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.260	-1.202	0.000
C2	-0.068	-0.327	1.231
C3	-0.068	-0.327	-1.231
C4	-0.068	1.072	0.659
C5	-0.068	1.072	-0.659
H6	1.319	-1.439	0.000
H7	-0.280	-2.142	0.000
H8	-1.043	-0.567	1.652
H9	-1.043	-0.567	-1.652
H10	-0.099	1.952	1.277
H11	-0.099	1.952	-1.277
H12	0.656	-0.455	-2.031
H13	0.656	-0.455	2.031

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5457	1.5457	2.3901	2.3901	1.0849	1.0839	2.1977	2.1977	3.4215	3.4215	2.1997	2.1997
C2	1.5457		2.4621	1.5107	2.3515	2.1619	2.2036	1.0887	3.0532	2.2791	3.3888	3.3435	1.0860
C3	1.5457	2.4621		2.3515	1.5107	2.1619	2.2036	3.0532	1.0887	3.3888	2.2791	1.0860	3.3435
C4	2.3901	1.5107	2.3515		1.3189	2.9426	3.2875	2.1496	2.9965	1.0757	2.1275	3.1767	2.1760
C5	2.3901	2.3515	1.5107	1.3189		2.9426	3.2875	2.9965	2.1496	2.1275	1.0757	2.1760	3.1767
H6	1.0849	2.1619	2.1619	2.9426	2.9426		1.7466	3.0108	3.0108	3.8905	3.8905	2.3517	2.3517
H7	1.0839	2.2036	2.2036	3.2875	3.2875	1.7466		2.4067	2.4067	4.2921	4.2921	2.8010	2.8010
H8	2.1977	1.0887	3.0532	2.1496	2.9965	3.0108	2.4067		3.3047	2.7155	3.9769	4.0573	1.7436
H9	2.1977	3.0532	1.0887	2.9965	2.1496	3.0108	2.4067	3.3047		3.9769	2.7155	1.7436	4.0573
H10	3.4215	2.2791	3.3888	1.0757	2.1275	3.8905	4.2921	2.7155	3.9769		2.5544	4.1599	2.6325
H11	3.4215	3.3888	2.2791	2.1275	1.0757	3.8905	4.2921	3.9769	2.7155	2.5544		2.6325	4.1599
H12	2.1997	3.3435	1.0860	3.1767	2.1760	2.3517	2.8010	4.0573	1.7436	4.1599	2.6325		4.0614
H13	2.1997	1.0860	3.3435	2.1760	3.1767	2.3517	2.8010	1.7436	4.0573	2.6325	4.1599	4.0614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.879	C1	C2	H8	111.899
C1	C2	H13	112.230	C1	C3	C5	102.879
C1	C3	H9	111.899	C1	C3	H12	112.230
C2	C1	C3	105.585	C2	C1	H6	109.288
C2	C1	H7	112.675	C2	C4	C5	112.234
C2	C4	H10	122.682	C3	C1	H6	109.288
C3	C1	H7	112.675	C3	C5	C4	112.234
C3	C5	H11	122.682	C4	C2	H8	110.521
C4	C2	H13	112.829	C4	C5	H11	125.052
C5	C3	H9	110.521	C5	C3	H12	112.829
C5	C4	H10	125.052	H6	C1	H7	107.284
H8	C2	H13	106.594	H9	C3	H12	106.594

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: HF/6-31G*

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	-0.331
2	C	-0.335
3	C	-0.335
4	C	-0.182
5	C	-0.182
6	H	0.168
7	H	0.165
8	H	0.166
9	H	0.166
10	H	0.184
11	H	0.184
12	H	0.166
13	H	0.166

	x	y	Total
	-0.036	-0.096	0.102
CHELPG	-0.038	-0.071	0.080
AIM	-0.022	0.095	0.097
ESP	-0.061	-0.117	0.132

	x	y	z
x	5.226	-0.057	-0.005
y	-0.057	6.981	-0.000
z	-0.005	-0.000	8.681

<r²>	104.527
(<r²>)^1/2	10.224

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)