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	hartrees
Energy at 0K	-232.264608
Energy at 298.15K	-232.272745
HF Energy	-231.756137
Nuclear repulsion energy	212.423126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3123	21.17
2	A	3219	3100	27.75
3	A	3184	3066	4.89
4	A	3136	3021	11.43
5	A	3110	2996	43.87
6	A	3081	2968	11.47
7	A	3050	2938	38.74
8	A	3032	2920	40.60
9	A	1668	1606	11.66
10	A	1587	1529	0.95
11	A	1533	1477	6.56
12	A	1512	1456	2.22
13	A	1483	1429	0.94
14	A	1372	1321	1.45
15	A	1356	1306	2.89
16	A	1314	1266	0.75
17	A	1269	1222	5.32
18	A	1256	1210	0.07
19	A	1183	1140	1.00
20	A	1139	1097	2.37
21	A	1066	1027	3.17
22	A	1017	979	2.55
23	A	955	920	2.29
24	A	915	881	2.74
25	A	903	870	7.50
26	A	866	834	0.07
27	A	840	809	0.50
28	A	826	795	68.96
29	A	772	744	0.77
30	A	771	743	31.30
31	A	655	631	21.65
32	A	620	597	0.39
33	A	510	491	19.86
34	A	356	343	0.17
35	A	283	273	1.66
36	A	18	18	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.097	-1.220	-0.000
H2	0.079	-1.846	0.894
H3	0.079	-1.846	-0.894
C4	-1.567	-0.622	0.000
H5	-2.138	-0.942	0.892
H6	-2.138	-0.942	-0.892
C7	2.221	-0.017	0.000
H8	2.809	0.906	0.000
H9	2.775	-0.960	0.000
C10	0.850	0.012	-0.000
C11	-1.345	0.906	-0.000
H12	-2.172	1.623	-0.000
C13	-0.010	1.234	-0.000
H14	0.397	2.249	-0.000

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1053	1.1054	1.5867	2.2449	2.2449	2.6116	3.6011	2.8839	1.5546	2.4659	3.5199	2.4559	3.5041
H2	1.1053		1.7886	2.2372	2.3942	2.9874	2.9549	3.9782	2.9755	2.2016	3.2252	4.2307	3.2082	4.2031
H3	1.1054	1.7886		2.2372	2.9874	2.3942	2.9550	3.9783	2.9755	2.2015	3.2251	4.2306	3.2081	4.2030
C4	1.5867	2.2372	2.2372		1.1069	1.1069	3.8354	4.6349	4.3549	2.4987	1.5444	2.3254	2.4225	3.4783
H5	2.2449	2.3942	2.9874	1.1069		1.7848	4.5443	5.3558	4.9935	3.2613	2.2002	2.7161	3.1717	4.1718
H6	2.2449	2.9874	2.3942	1.1069	1.7848		4.5444	5.3559	4.9936	3.2614	2.2002	2.7160	3.1718	4.1719
C7	2.6116	2.9549	2.9550	3.8354	4.5443	4.5444		1.0946	1.0939	1.3709	3.6833	4.6886	2.5572	2.9082
H8	3.6011	3.9782	3.9783	4.6349	5.3558	5.3559	1.0946		1.8665	2.1532	4.1540	5.0320	2.8377	2.7601
H9	2.8839	2.9755	2.9755	4.3549	4.9935	4.9936	1.0939	1.8665		2.1565	4.5231	5.5806	3.5452	3.9936
C10	1.5546	2.2016	2.2015	2.4987	3.2613	3.2614	1.3709	2.1532	2.1565		2.3703	3.4244	1.4940	2.2818
C11	2.4659	3.2252	3.2251	1.5444	2.2002	2.2002	3.6833	4.1540	4.5231	2.3703		1.0942	1.3749	2.1995
H12	3.5199	4.2307	4.2306	2.3254	2.7161	2.7160	4.6886	5.0320	5.5806	3.4244	1.0942		2.1967	2.6441
C13	2.4559	3.2082	3.2081	2.4225	3.1717	3.1718	2.5572	2.8377	3.5452	1.4940	1.3749	2.1967		1.0934
H14	3.5041	4.2031	4.2030	3.4783	4.1718	4.1719	2.9082	2.7601	3.9936	2.2818	2.1995	2.6441	1.0934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.668	C1	C4	H6	111.669
C1	C4	C11	103.903	C1	C10	C7	126.322
C1	C10	C13	107.318	H2	C1	H3	108.006
H2	C1	C4	111.151	H2	C1	C10	110.584
H3	C1	C4	111.150	H3	C1	C10	110.583
C4	C1	C10	105.388	C4	C11	H12	122.683
C4	C11	C13	112.034	H5	C4	H6	107.462
H5	C4	C11	111.096	H6	C4	C11	111.097
C7	C10	C13	126.360	H8	C7	H9	117.044
H8	C7	C10	121.289	H9	C7	C10	121.667
C10	C13	C11	111.358	C10	C13	H14	122.997
C11	C13	H14	125.645	H12	C11	C13	125.284

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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