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	hartrees
Energy at 0K	-195.304148
Energy at 298.15K	-195.313098
Nuclear repulsion energy	171.352079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3097	20.76
2	A'	3136	3005	39.31
3	A'	3097	2967	45.84
4	A'	3076	2947	12.74
5	A'	3035	2908	26.50
6	A'	1701	1630	3.77
7	A'	1495	1433	2.59
8	A'	1467	1405	1.69
9	A'	1326	1271	1.08
10	A'	1223	1172	1.77
11	A'	1121	1074	0.18
12	A'	1060	1015	8.74
13	A'	992	951	1.35
14	A'	927	889	0.47
15	A'	823	788	1.02
16	A'	711	681	35.63
17	A'	611	586	13.85
18	A'	141	135	0.21
19	A"	3206	3072	7.04
20	A"	3091	2962	27.64
21	A"	3036	2910	61.26
22	A"	1473	1412	3.07
23	A"	1379	1322	1.96
24	A"	1318	1263	0.36
25	A"	1289	1235	1.53
26	A"	1225	1174	0.01
27	A"	1143	1095	1.53
28	A"	1053	1009	2.49
29	A"	960	920	0.00
30	A"	930	891	11.46
31	A"	894	857	1.60
32	A"	783	750	0.39
33	A"	392	375	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.263	-1.199	0.000
C2	-0.068	-0.327	1.230
C3	-0.068	-0.327	-1.230
C4	-0.068	1.070	0.668
C5	-0.068	1.070	-0.668
H6	1.335	-1.432	0.000
H7	-0.278	-2.153	0.000
H8	-1.056	-0.569	1.653
H9	-1.056	-0.569	-1.653
H10	-0.106	1.963	1.291
H11	-0.106	1.963	-1.291
H12	0.657	-0.459	-2.045
H13	0.657	-0.459	2.045

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5434	1.5434	2.3879	2.3879	1.0974	1.0961	2.2067	2.2067	3.4350	3.4350	2.2102	2.2102
C2	1.5434		2.4602	1.5057	2.3568	2.1682	2.2113	1.1022	3.0575	2.2910	3.4063	3.3569	1.0985
C3	1.5434	2.4602		2.3568	1.5057	2.1682	2.2113	3.0575	1.1022	3.4063	2.2910	1.0985	3.3569
C4	2.3879	1.5057	2.3568		1.3361	2.9450	3.2976	2.1522	3.0082	1.0897	2.1537	3.1974	2.1814
C5	2.3879	2.3568	1.5057	1.3361		2.9450	3.2976	3.0082	2.1522	2.1537	1.0897	2.1814	3.1974
H6	1.0974	2.1682	2.1682	2.9450	2.9450		1.7662	3.0326	3.0326	3.9075	3.9075	2.3639	2.3639
H7	1.0961	2.2113	2.2113	3.2976	3.2976	1.7662		2.4183	2.4183	4.3167	4.3167	2.8149	2.8149
H8	2.2067	1.1022	3.0575	2.1522	3.0082	3.0326	2.4183		3.3061	2.7281	3.9977	4.0772	1.7612
H9	2.2067	3.0575	1.1022	3.0082	2.1522	3.0326	2.4183	3.3061		3.9977	2.7281	1.7612	4.0772
H10	3.4350	2.2910	3.4063	1.0897	2.1537	3.9075	4.3167	2.7281	3.9977		2.5828	4.1927	2.6486
H11	3.4350	3.4063	2.2910	2.1537	1.0897	3.9075	4.3167	3.9977	2.7281	2.5828		2.6486	4.1927
H12	2.2102	3.3569	1.0985	3.1974	2.1814	2.3639	2.8149	4.0772	1.7612	4.1927	2.6486		4.0899
H13	2.2102	1.0985	3.3569	2.1814	3.1974	2.3639	2.8149	1.7612	4.0772	2.6486	4.1927	4.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.092	C1	C2	H8	111.961
C1	C2	H13	112.474	C1	C3	C5	103.092
C1	C3	H9	111.961	C1	C3	H12	112.474
C2	C1	C3	105.690	C2	C1	H6	109.213
C2	C1	H7	112.709	C2	C4	C5	111.917
C2	C4	H10	123.145	C3	C1	H6	109.213
C3	C1	H7	112.709	C3	C5	C4	111.917
C3	C5	H11	123.145	C4	C2	H8	110.270
C4	C2	H13	112.852	C4	C5	H11	124.891
C5	C3	H9	110.270	C5	C3	H12	112.852
C5	C4	H10	124.891	H6	C1	H7	107.254
H8	C2	H13	106.314	H9	C3	H12	106.314

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.527
2	C	0.414
3	C	0.414
4	C	0.273
5	C	0.273
6	H	-0.264
7	H	-0.185
8	H	-0.175
9	H	-0.175
10	H	-0.376
11	H	-0.376
12	H	-0.176
13	H	-0.176

	x	y	z	Total
	-0.064	-0.246	0.000	0.254
CHELPG
AIM
ESP

<r²>	105.007
(<r²>)^1/2	10.247

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)