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	hartrees
Energy at 0K	-195.297273
Energy at 298.15K	-195.306240
Nuclear repulsion energy	171.540231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3087	22.12
2	A'	3142	2991	37.51
3	A'	3104	2954	43.64
4	A'	3082	2934	14.84
5	A'	3041	2895	26.55
6	A'	1704	1622	3.71
7	A'	1515	1442	2.45
8	A'	1486	1414	2.35
9	A'	1342	1277	1.54
10	A'	1237	1178	2.01
11	A'	1135	1080	0.28
12	A'	1072	1021	8.78
13	A'	994	946	1.42
14	A'	925	880	0.69
15	A'	832	792	0.88
16	A'	718	684	43.93
17	A'	607	578	13.83
18	A'	154	146	0.30
19	A"	3218	3063	7.20
20	A"	3099	2949	28.44
21	A"	3043	2896	59.12
22	A"	1493	1421	2.80
23	A"	1392	1325	2.38
24	A"	1332	1268	0.32
25	A"	1311	1248	2.12
26	A"	1237	1177	0.01
27	A"	1157	1101	1.88
28	A"	1057	1006	2.17
29	A"	976	929	0.06
30	A"	934	889	11.01
31	A"	902	858	1.89
32	A"	783	745	0.35
33	A"	395	376	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	-1.194	0.000
C2	-0.072	-0.329	1.229
C3	-0.072	-0.329	-1.229
C4	-0.072	1.069	0.668
C5	-0.072	1.069	-0.668
H6	1.355	-1.395	0.000
H7	-0.231	-2.160	0.000
H8	-1.063	-0.576	1.633
H9	-1.063	-0.576	-1.633
H10	-0.112	1.957	1.290
H11	-0.112	1.957	-1.290
H12	0.638	-0.461	-2.051
H13	0.638	-0.461	2.051

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5433	1.5433	2.3855	2.3855	1.0943	1.0926	2.2029	2.2029	3.4274	3.4274	2.2077	2.2077
C2	1.5433		2.4572	1.5062	2.3558	2.1643	2.2107	1.0989	3.0388	2.2872	3.4013	3.3585	1.0950
C3	1.5433	2.4572		2.3558	1.5062	2.1643	2.2107	3.0388	1.0989	3.4013	2.2872	1.0950	3.3585
C4	2.3855	1.5062	2.3558		1.3353	2.9249	3.3009	2.1499	2.9974	1.0851	2.1497	3.1996	2.1816
C5	2.3855	2.3558	1.5062	1.3353		2.9249	3.3009	2.9974	2.1499	2.1497	1.0851	2.1816	3.1996
H6	1.0943	2.1643	2.1643	2.9249	2.9249		1.7612	3.0312	3.0312	3.8800	3.8800	2.3653	2.3653
H7	1.0926	2.2107	2.2107	3.3009	3.3009	1.7612		2.4222	2.4222	4.3159	4.3159	2.8019	2.8019
H8	2.2029	1.0989	3.0388	2.1499	2.9974	3.0312	2.4222		3.2666	2.7280	3.9834	4.0602	1.7561
H9	2.2029	3.0388	1.0989	2.9974	2.1499	3.0312	2.4222	3.2666		3.9834	2.7280	1.7561	4.0602
H10	3.4274	2.2872	3.4013	1.0851	2.1497	3.8800	4.3159	2.7280	3.9834		2.5792	4.1918	2.6439
H11	3.4274	3.4013	2.2872	2.1497	1.0851	3.8800	4.3159	3.9834	2.7280	2.5792		2.6439	4.1918
H12	2.2077	3.3585	1.0950	3.1996	2.1816	2.3653	2.8019	4.0602	1.7561	4.1918	2.6439		4.1025
H13	2.2077	1.0950	3.3585	2.1816	3.1996	2.3653	2.8019	1.7561	4.0602	2.6439	4.1918	4.1025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.930	C1	C2	H8	111.870
C1	C2	H13	112.492	C1	C3	C5	102.930
C1	C3	H9	111.870	C1	C3	H12	112.492
C2	C1	C3	105.515	C2	C1	H6	109.094
C2	C1	H7	112.888	C2	C4	C5	111.867
C2	C4	H10	123.107	C3	C1	H6	109.094
C3	C1	H7	112.888	C3	C5	C4	111.867
C3	C5	H11	123.107	C4	C2	H8	110.259
C4	C2	H13	113.058	C4	C5	H11	124.974
C5	C3	H9	110.259	C5	C3	H12	113.058
C5	C4	H10	124.974	H6	C1	H7	107.291
H8	C2	H13	106.349	H9	C3	H12	106.349

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: mPW1PW91/6-31+G**

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	-0.365
2	C	-0.391
3	C	-0.391
4	C	-0.089
5	C	-0.089
6	H	0.175
7	H	0.163
8	H	0.173
9	H	0.173
10	H	0.153
11	H	0.153
12	H	0.167
13	H	0.167

	x	y	z	Total
	-0.083	-0.265	0.000	0.277
CHELPG
AIM
ESP

<r²>	104.754
(<r²>)^1/2	10.235

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)