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	hartrees
Energy at 0K	-193.918699
Energy at 298.15K	-193.927899
Nuclear repulsion energy	170.949132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3075	38.11
2	A'	3289	2960	105.66
3	A'	3252	2926	76.08
4	A'	3230	2907	41.42
5	A'	3201	2880	23.21
6	A'	1818	1636	2.97
7	A'	1664	1497	3.39
8	A'	1640	1476	1.39
9	A'	1473	1326	2.28
10	A'	1353	1218	1.83
11	A'	1239	1115	0.18
12	A'	1193	1073	11.85
13	A'	1049	944	4.56
14	A'	960	863	1.05
15	A'	890	801	2.78
16	A'	799	719	57.75
17	A'	695	626	17.00
18	A'	118	107	0.30
19	A"	3383	3044	11.70
20	A"	3248	2923	22.68
21	A"	3202	2881	123.27
22	A"	1649	1484	4.68
23	A"	1515	1363	5.17
24	A"	1465	1318	1.35
25	A"	1442	1297	1.36
26	A"	1356	1221	0.01
27	A"	1271	1143	1.06
28	A"	1143	1028	1.28
29	A"	1100	990	0.00
30	A"	1000	900	3.70
31	A"	971	874	10.01
32	A"	850	765	0.96
33	A"	423	381	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.211	-1.222	0.000
C2	-0.055	-0.324	1.243
C3	-0.055	-0.324	-1.243
C4	-0.055	1.081	0.667
C5	-0.055	1.081	-0.667
H6	1.245	-1.547	0.000
H7	-0.406	-2.111	0.000
H8	-1.013	-0.548	1.705
H9	-1.013	-0.548	-1.705
H10	-0.076	1.959	1.283
H11	-0.076	1.959	-1.283
H12	0.701	-0.456	-2.009
H13	0.701	-0.456	2.009

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5562	1.5562	2.4120	2.4120	1.0834	1.0824	2.2044	2.2044	3.4417	3.4417	2.2050	2.2050
C2	1.5562		2.4860	1.5186	2.3708	2.1748	2.2049	1.0865	3.1079	2.2835	3.4047	3.3413	1.0843
C3	1.5562	2.4860		2.3708	1.5186	2.1748	2.2049	3.1079	1.0865	3.4047	2.2835	1.0843	3.3413
C4	2.4120	1.5186	2.3708		1.3334	3.0064	3.2798	2.1563	3.0327	1.0728	2.1382	3.1769	2.1760
C5	2.4120	2.3708	1.5186	1.3334		3.0064	3.2798	3.0327	2.1563	2.1382	1.0728	2.1760	3.1769
H6	1.0834	2.1748	2.1748	3.0064	3.0064		1.7444	3.0001	3.0001	3.9598	3.9598	2.3498	2.3498
H7	1.0824	2.2049	2.2049	3.2798	3.2798	1.7444		2.3915	2.3915	4.2802	4.2802	2.8285	2.8285
H8	2.2044	1.0865	3.1079	2.1563	3.0327	3.0001	2.3915		3.4107	2.7095	4.0115	4.0915	1.7425
H9	2.2044	3.1079	1.0865	3.0327	2.1563	3.0001	2.3915	3.4107		4.0115	2.7095	1.7425	4.0915
H10	3.4417	2.2835	3.4047	1.0728	2.1382	3.9598	4.2802	2.7095	4.0115		2.5656	4.1558	2.6387
H11	3.4417	3.4047	2.2835	2.1382	1.0728	3.9598	4.2802	4.0115	2.7095	2.5656		2.6387	4.1558
H12	2.2050	3.3413	1.0843	3.1769	2.1760	2.3498	2.8285	4.0915	1.7425	4.1558	2.6387		4.0179
H13	2.2050	1.0843	3.3413	2.1760	3.1769	2.3498	2.8285	1.7425	4.0915	2.6387	4.1558	4.0179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.331	C1	C2	H8	111.825
C1	C2	H13	112.005	C1	C3	C5	103.331
C1	C3	H9	111.825	C1	C3	H12	112.005
C2	C1	C3	106.014	C2	C1	H6	109.653
C2	C1	H7	112.108	C2	C4	C5	112.302
C2	C4	H10	122.633	C3	C1	H6	109.653
C3	C1	H7	112.108	C3	C5	C4	112.302
C3	C5	H11	122.633	C4	C2	H8	110.637
C4	C2	H13	112.366	C4	C5	H11	125.050
C5	C3	H9	110.637	C5	C3	H12	112.366
C5	C4	H10	125.050	H6	C1	H7	107.301
H8	C2	H13	106.777	H9	C3	H12	106.777

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: HF/LANL2DZ

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	-0.364
2	C	-0.353
3	C	-0.353
4	C	-0.204
5	C	-0.204
6	H	0.176
7	H	0.179
8	H	0.175
9	H	0.175
10	H	0.207
11	H	0.207
12	H	0.179
13	H	0.179

	x	y	z	Total
	-0.053	-0.299	0.000	0.304
CHELPG
AIM
ESP

	x	y	z
x	5.129	-0.050	0.000
y	-0.050	7.010	0.000
z	0.000	0.000	8.882

<r²>	105.882
(<r²>)^1/2	10.290

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)