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	hartrees
Energy at 0K	-37.911123
Energy at 298.15K	-37.919231
HF Energy	-37.435550
Nuclear repulsion energy	110.844148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3121	32.93
2	A	3202	3094	30.50
3	A	3167	3060	7.95
4	A	3138	3032	18.45
5	A	3129	3023	65.19
6	A	3098	2993	20.01
7	A	3057	2954	48.04
8	A	3037	2935	50.85
9	A	1667	1611	7.85
10	A	1581	1528	1.01
11	A	1527	1475	4.18
12	A	1505	1454	1.39
13	A	1472	1422	0.89
14	A	1364	1318	1.23
15	A	1351	1305	2.67
16	A	1302	1258	0.63
17	A	1268	1225	2.93
18	A	1254	1212	0.09
19	A	1175	1135	1.69
20	A	1122	1084	1.45
21	A	1062	1027	2.84
22	A	1014	979	2.91
23	A	949	917	1.85
24	A	913	882	3.33
25	A	902	872	6.49
26	A	859	830	0.50
27	A	840	812	0.60
28	A	790	763	50.50
29	A	767	741	70.04
30	A	765	739	0.90
31	A	657	634	23.07
32	A	615	594	0.28
33	A	503	486	19.05
34	A	343	332	0.33
35	A	286	276	1.41
36	A	23	22	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	-1.232	0.000
H2	-0.075	-1.862	-0.898
H3	-0.075	-1.861	0.899
C4	1.578	-0.627	-0.000
H5	2.153	-0.949	-0.898
H6	2.153	-0.949	0.897
C7	-2.244	-0.018	-0.000
H8	-2.833	0.913	-0.000
H9	-2.802	-0.968	-0.000
C10	-0.853	0.010	0.000
C11	1.360	0.914	-0.000
H12	2.192	1.634	-0.000
C13	0.007	1.248	0.000
H14	-0.404	2.267	0.000

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1112	1.1112	1.5963	2.2574	2.2574	2.6405	3.6339	2.9150	1.5661	2.4879	3.5474	2.4820	3.5354
H2	1.1112		1.7976	2.2501	2.4072	3.0032	2.9849	4.0135	3.0070	2.2173	3.2510	4.2618	3.2382	4.2384
H3	1.1112	1.7976		2.2501	3.0035	2.4071	2.9853	4.0137	3.0078	2.2172	3.2505	4.2613	3.2377	4.2378
C4	1.5963	2.2501	2.2501		1.1131	1.1131	3.8708	4.6722	4.3936	2.5134	1.5567	2.3430	2.4469	3.5082
H5	2.2574	2.4072	3.0035	1.1131		1.7945	4.5831	5.3970	5.0354	3.2803	2.2149	2.7349	3.2000	4.2057
H6	2.2574	3.0032	2.4071	1.1131	1.7945		4.5836	5.3975	5.0360	3.2806	2.2149	2.7349	3.2001	4.2057
C7	2.6405	2.9849	2.9853	3.8708	4.5831	4.5836		1.1014	1.1013	1.3917	3.7227	4.7337	2.5831	2.9347
H8	3.6339	4.0135	4.0137	4.6722	5.3970	5.3975	1.1014		1.8807	2.1759	4.1928	5.0762	2.8596	2.7816
H9	2.9150	3.0070	3.0078	4.3936	5.0354	5.0360	1.1013	1.8807		2.1809	4.5676	5.6310	3.5781	4.0274
C10	1.5661	2.2173	2.2172	2.5134	3.2803	3.2806	1.3917	2.1759	2.1809		2.3901	3.4505	1.5073	2.3013
C11	2.4879	3.2510	3.2505	1.5567	2.2149	2.2149	3.7227	4.1928	4.5676	2.3901		1.1002	1.3936	2.2229
H12	3.5474	4.2618	4.2613	2.3430	2.7349	2.7349	4.7337	5.0762	5.6310	3.4505	1.1002		2.2186	2.6715
C13	2.4820	3.2382	3.2377	2.4469	3.2000	3.2001	2.5831	2.8596	3.5781	1.5073	1.3936	2.2186		1.0986
H14	3.5354	4.2384	4.2378	3.5082	4.2057	4.2057	2.9347	2.7816	4.0274	2.3013	2.2229	2.6715	1.0986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.613	C1	C4	H6	111.609
C1	C4	C11	104.187	C1	C10	C7	126.335
C1	C10	C13	107.702	H2	C1	H3	107.963
H2	C1	C4	111.151	H2	C1	C10	110.674
H3	C1	C4	111.145	H3	C1	C10	110.669
C4	C1	C10	105.264	C4	C11	H12	122.809
C4	C11	C13	111.950	H5	C4	H6	107.430
H5	C4	C11	111.030	H6	C4	C11	111.027
C7	C10	C13	125.963	H8	C7	H9	117.258
H8	C7	C10	121.125	H9	C7	C10	121.617
C10	C13	C11	110.897	C10	C13	H14	123.277
C11	C13	H14	125.826	H12	C11	C13	125.240

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

using model chemistry: MP2/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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All results from a given calculation for C6H8 (3-Methylenecyclopentene)

using model chemistry: MP2/CEP-31G

States and conformations

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