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	hartrees
Energy at 0K	-232.269531
Energy at 298.15K	-232.277663
HF Energy	-231.757246
Nuclear repulsion energy	212.479256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3130	20.87
2	A	3218	3107	27.23
3	A	3183	3072	4.67
4	A	3136	3027	10.96
5	A	3109	3001	42.77
6	A	3080	2973	11.06
7	A	3049	2943	38.29
8	A	3031	2926	40.02
9	A	1668	1610	11.72
10	A	1587	1532	0.96
11	A	1533	1480	6.53
12	A	1512	1459	2.22
13	A	1484	1432	0.94
14	A	1372	1324	1.47
15	A	1356	1308	2.88
16	A	1314	1268	0.73
17	A	1268	1224	5.33
18	A	1256	1212	0.06
19	A	1184	1142	1.03
20	A	1139	1099	2.36
21	A	1066	1029	3.18
22	A	1017	982	2.53
23	A	955	922	2.28
24	A	915	883	2.76
25	A	903	872	7.49
26	A	866	836	0.07
27	A	840	811	0.51
28	A	826	797	68.88
29	A	772	745	1.22
30	A	771	745	30.78
31	A	655	633	21.65
32	A	619	598	0.40
33	A	510	492	19.83
34	A	356	344	0.17
35	A	283	274	1.63
36	A	15	14	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.097	-1.220	-0.000
H2	-0.079	-1.845	-0.895
H3	-0.079	-1.846	0.893
C4	1.566	-0.622	0.000
H5	2.138	-0.942	-0.891
H6	2.137	-0.941	0.893
C7	-2.220	-0.017	0.000
H8	-2.808	0.906	0.000
H9	-2.774	-0.960	0.000
C10	-0.850	0.012	-0.000
C11	1.345	0.906	-0.000
H12	2.171	1.623	-0.000
C13	0.010	1.234	-0.000
H14	-0.397	2.248	-0.000

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1053	1.1053	1.5863	2.2445	2.2444	2.6108	3.6002	2.8831	1.5542	2.4652	3.5192	2.4553	3.5034
H2	1.1053		1.7886	2.2367	2.3937	2.9873	2.9543	3.9774	2.9752	2.2010	3.2239	4.2293	3.2070	4.2017
H3	1.1053	1.7886		2.2368	2.9867	2.3938	2.9540	3.9772	2.9742	2.2011	3.2249	4.2305	3.2079	4.2027
C4	1.5863	2.2367	2.2368		1.1068	1.1068	3.8342	4.6335	4.3536	2.4980	1.5441	2.3250	2.4219	3.4776
H5	2.2445	2.3937	2.9867	1.1068		1.7849	4.5436	5.3551	4.9929	3.2610	2.1998	2.7154	3.1713	4.1714
H6	2.2444	2.9873	2.3938	1.1068	1.7849		4.5424	5.3536	4.9917	3.2600	2.1997	2.7156	3.1705	4.1705
C7	2.6108	2.9543	2.9540	3.8342	4.5436	4.5424		1.0945	1.0938	1.3703	3.6820	4.6872	2.5564	2.9071
H8	3.6002	3.9774	3.9772	4.6335	5.3551	5.3536	1.0945		1.8663	2.1525	4.1525	5.0304	2.8367	2.7588
H9	2.8831	2.9752	2.9742	4.3536	4.9929	4.9917	1.0938	1.8663		2.1558	4.5217	5.5791	3.5442	3.9924
C10	1.5542	2.2010	2.2011	2.4980	3.2610	3.2600	1.3703	2.1525	2.1558		2.3696	3.4236	1.4936	2.2813
C11	2.4652	3.2239	3.2249	1.5441	2.1998	2.1997	3.6820	4.1525	4.5217	2.3696		1.0941	1.3743	2.1991
H12	3.5192	4.2293	4.2305	2.3250	2.7154	2.7156	4.6872	5.0304	5.5791	3.4236	1.0941		2.1961	2.6436
C13	2.4553	3.2070	3.2079	2.4219	3.1713	3.1705	2.5564	2.8367	3.5442	1.4936	1.3743	2.1961		1.0933
H14	3.5034	4.2017	4.2027	3.4776	4.1714	4.1705	2.9071	2.7588	3.9924	2.2813	2.1991	2.6436	1.0933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.671	C1	C4	H6	111.664
C1	C4	C11	103.902	C1	C10	C7	126.327
C1	C10	C13	107.318	H2	C1	H3	108.019
H2	C1	C4	111.147	H2	C1	C10	110.572
H3	C1	C4	111.156	H3	C1	C10	110.583
C4	C1	C10	105.385	C4	C11	H12	122.680
C4	C11	C13	112.038	H5	C4	H6	107.477
H5	C4	C11	111.097	H6	C4	C11	111.082
C7	C10	C13	126.356	H8	C7	H9	117.047
H8	C7	C10	121.285	H9	C7	C10	121.667
C10	C13	C11	111.358	C10	C13	H14	122.984
C11	C13	H14	125.658	H12	C11	C13	125.282

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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