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	hartrees
Energy at 0K	-38.607583
Energy at 298.15K	-38.615837
Nuclear repulsion energy	112.024183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3128	34.41
2	A	3220	3119	21.15
3	A	3186	3085	3.48
4	A	3146	3047	12.39
5	A	3111	3013	68.80
6	A	3065	2968	24.41
7	A	3061	2964	43.94
8	A	3029	2933	56.77
9	A	1693	1639	32.70
10	A	1628	1577	1.04
11	A	1507	1459	7.01
12	A	1484	1437	2.48
13	A	1463	1417	1.49
14	A	1369	1326	1.55
15	A	1332	1289	3.73
16	A	1290	1249	0.30
17	A	1265	1225	4.17
18	A	1240	1201	0.57
19	A	1162	1126	1.11
20	A	1123	1088	2.30
21	A	1029	996	12.97
22	A	1019	987	4.55
23	A	1012	980	13.01
24	A	957	927	1.91
25	A	927	898	96.60
26	A	911	882	9.98
27	A	851	824	22.38
28	A	846	820	0.98
29	A	796	771	19.90
30	A	768	744	1.38
31	A	677	656	12.95
32	A	618	598	0.68
33	A	501	485	23.87
34	A	345	334	0.61
35	A	290	281	1.55
36	A	55	53	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.115	-1.197	0.000
H2	-0.053	-1.830	-0.887
H3	-0.053	-1.830	0.887
C4	1.567	-0.580	-0.000
H5	2.150	-0.893	-0.886
H6	2.150	-0.893	0.886
C7	-2.224	-0.024	-0.000
H8	-2.820	0.894	-0.000
H9	-2.774	-0.971	-0.000
C10	-0.851	0.017	0.000
C11	1.327	0.938	-0.000
H12	2.141	1.665	-0.000
C13	-0.011	1.247	0.000
H14	-0.435	2.253	0.000

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1031	1.1031	1.5775	2.2401	2.2401	2.6167	3.6037	2.8977	1.5513	2.4541	3.5064	2.4469	3.4930
H2	1.1031		1.7747	2.2306	2.3942	2.9794	2.9600	3.9830	2.9877	2.1990	3.2172	4.2212	3.2026	4.1954
H3	1.1031	1.7747		2.2306	2.9794	2.3942	2.9600	3.9830	2.9878	2.1990	3.2172	4.2212	3.2026	4.1954
C4	1.5775	2.2306	2.2306		1.1060	1.1060	3.8316	4.6279	4.3583	2.4904	1.5362	2.3170	2.4142	3.4685
H5	2.2401	2.3942	2.9794	1.1060		1.7720	4.5468	5.3554	5.0034	3.2587	2.1942	2.7072	3.1682	4.1670
H6	2.2401	2.9794	2.3942	1.1060	1.7720		4.5468	5.3555	5.0035	3.2587	2.1942	2.7072	3.1682	4.1670
C7	2.6167	2.9600	2.9600	3.8316	4.5468	4.5468		1.0947	1.0947	1.3739	3.6786	4.6808	2.5516	2.8955
H8	3.6037	3.9830	3.9830	4.6279	5.3554	5.3555	1.0947		1.8657	2.1556	4.1467	5.0208	2.8304	2.7446
H9	2.8977	2.9877	2.9878	4.3583	5.0034	5.0035	1.0947	1.8657		2.1618	4.5226	5.5772	3.5423	3.9825
C10	1.5513	2.1990	2.1990	2.4904	3.2587	3.2587	1.3739	2.1556	2.1618		2.3639	3.4159	1.4889	2.2738
C11	2.4541	3.2172	3.2172	1.5362	2.1942	2.1942	3.6786	4.1467	4.5226	2.3639		1.0923	1.3734	2.1984
H12	3.5064	4.2212	4.2212	2.3170	2.7072	2.7072	4.6808	5.0208	5.5772	3.4159	1.0923		2.1932	2.6426
C13	2.4469	3.2026	3.2026	2.4142	3.1682	3.1682	2.5516	2.8304	3.5423	1.4889	1.3734	2.1932		1.0913
H14	3.4930	4.1954	4.1954	3.4685	4.1670	4.1670	2.8955	2.7446	3.9825	2.2738	2.1984	2.6426	1.0913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.984	C1	C4	H6	111.984
C1	C4	C11	104.021	C1	C10	C7	126.793
C1	C10	C13	107.174	H2	C1	H3	107.109
H2	C1	C4	111.409	H2	C1	C10	110.745
H3	C1	C4	111.408	H3	C1	C10	110.744
C4	C1	C10	105.488	C4	C11	H12	122.754
C4	C11	C13	112.022	H5	C4	H6	106.470
H5	C4	C11	111.248	H6	C4	C11	111.248
C7	C10	C13	126.033	H8	C7	H9	116.887
H8	C7	C10	121.256	H9	C7	C10	121.857
C10	C13	C11	111.295	C10	C13	H14	122.853
C11	C13	H14	125.852	H12	C11	C13	125.224

All results from a given calculation for C₆H₈ (3-Methylenecyclopentene)

using model chemistry: B3LYP/CEP-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	-0.140
2	H	0.147
3	H	0.147
4	C	-0.287
5	H	0.140
6	H	0.140
7	C	-0.777
8	H	0.205
9	H	0.206
10	C	0.140
11	C	-0.440
12	H	0.291
13	C	-0.092
14	H	0.322

	x	y	z	Total
	0.898	-0.312	0.000	0.950
CHELPG
AIM
ESP

	x	y	z
x	14.907	0.162	-0.001
y	0.162	8.718	0.000
z	-0.001	0.000	5.024

<r²>	129.688
(<r²>)^1/2	11.388

All results from a given calculation for C6H8 (3-Methylenecyclopentene)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for C₆H₈ (3-Methylenecyclopentene)