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	hartrees
Energy at 0K	-194.039889
Energy at 298.15K	-194.049131
Nuclear repulsion energy	172.228134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3034	23.23
2	A'	3219	2925	68.63
3	A'	3192	2900	64.73
4	A'	3167	2877	8.43
5	A'	3139	2853	33.87
6	A'	1813	1647	4.22
7	A'	1635	1485	1.05
8	A'	1605	1458	1.40
9	A'	1458	1325	0.35
10	A'	1338	1215	2.29
11	A'	1220	1109	0.12
12	A'	1168	1062	12.76
13	A'	1029	935	1.97
14	A'	959	871	0.59
15	A'	885	804	2.62
16	A'	785	713	41.59
17	A'	658	598	9.24
18	A'	158	144	0.16
19	A"	3312	3009	11.03
20	A"	3182	2891	46.58
21	A"	3142	2855	68.21
22	A"	1614	1467	0.74
23	A"	1503	1365	3.16
24	A"	1439	1307	0.98
25	A"	1427	1296	2.05
26	A"	1337	1214	0.00
27	A"	1251	1136	1.93
28	A"	1107	1006	2.23
29	A"	1089	990	0.00
30	A"	978	889	3.49
31	A"	952	865	5.47
32	A"	835	759	0.39
33	A"	423	385	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	-1.199	0.000
C2	-0.069	-0.327	1.228
C3	-0.069	-0.327	-1.228
C4	-0.069	1.069	0.658
C5	-0.069	1.069	-0.658
H6	1.326	-1.423	0.000
H7	-0.264	-2.143	0.000
H8	-1.045	-0.567	1.642
H9	-1.045	-0.567	-1.642
H10	-0.103	1.950	1.272
H11	-0.103	1.950	-1.272
H12	0.649	-0.454	-2.031
H13	0.649	-0.454	2.031

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5428	1.5428	2.3855	2.3855	1.0835	1.0822	2.1943	2.1943	3.4160	3.4160	2.1966	2.1966
C2	1.5428		2.4561	1.5085	2.3468	2.1572	2.2008	1.0872	3.0413	2.2776	3.3819	3.3391	1.0842
C3	1.5428	2.4561		2.3468	1.5085	2.1572	2.2008	3.0413	1.0872	3.3819	2.2776	1.0842	3.3391
C4	2.3855	1.5085	2.3468		1.3158	2.9307	3.2849	2.1446	2.9869	1.0740	2.1217	3.1723	2.1725
C5	2.3855	2.3468	1.5085	1.3158		2.9307	3.2849	2.9869	2.1446	2.1217	1.0740	2.1725	3.1723
H6	1.0835	2.1572	2.1572	2.9307	2.9307		1.7450	3.0085	3.0085	3.8773	3.8773	2.3494	2.3494
H7	1.0822	2.2008	2.2008	3.2849	3.2849	1.7450		2.4067	2.4067	4.2889	4.2889	2.7945	2.7945
H8	2.1943	1.0872	3.0413	2.1446	2.9869	3.0085	2.4067		3.2845	2.7125	3.9642	4.0463	1.7418
H9	2.1943	3.0413	1.0872	2.9869	2.1446	3.0085	2.4067	3.2845		3.9642	2.7125	1.7418	4.0463
H10	3.4160	2.2776	3.3819	1.0740	2.1217	3.8773	4.2889	2.7125	3.9642		2.5446	4.1534	2.6301
H11	3.4160	3.3819	2.2776	2.1217	1.0740	3.8773	4.2889	3.9642	2.7125	2.5446		2.6301	4.1534
H12	2.1966	3.3391	1.0842	3.1723	2.1725	2.3494	2.7945	4.0463	1.7418	4.1534	2.6301		4.0610
H13	2.1966	1.0842	3.3391	2.1725	3.1723	2.3494	2.7945	1.7418	4.0463	2.6301	4.1534	4.0610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.846	C1	C2	H8	111.927
C1	C2	H13	112.303	C1	C3	C5	102.846
C1	C3	H9	111.927	C1	C3	H12	112.303
C2	C1	C3	105.499	C2	C1	H6	109.201
C2	C1	H7	112.759	C2	C4	C5	112.207
C2	C4	H10	122.862	C3	C1	H6	109.201
C3	C1	H7	112.759	C3	C5	C4	112.207
C3	C5	H11	122.862	C4	C2	H8	110.370
C4	C2	H13	112.822	C4	C5	H11	124.892
C5	C3	H9	110.370	C5	C3	H12	112.822
C5	C4	H10	124.892	H6	C1	H7	107.363
H8	C2	H13	106.675	H9	C3	H12	106.675

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.172
2	C	-0.302
3	C	-0.302
4	C	-0.097
5	C	-0.097
6	H	0.131
7	H	0.115
8	H	0.129
9	H	0.129
10	H	0.121
11	H	0.121
12	H	0.113
13	H	0.113

	x	y	z	Total
	-0.066	-0.223	0.000	0.232
CHELPG
AIM
ESP

	x	y	z
x	6.709	-0.109	0.000
y	-0.109	8.156	0.000
z	0.000	0.000	9.543

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)