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	hartrees
Energy at 0K	-232.590935
Energy at 298.15K
HF Energy	-231.828507
Nuclear repulsion energy	216.531783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3296	3108	10.72
2	A	3260	3075	15.63
3	A	3238	3054	1.72
4	A	3207	3024	4.05
5	A	3171	2991	19.34
6	A	3136	2958	11.02
7	A	3120	2943	17.61
8	A	3097	2920	29.57
9	A	1732	1633	7.41
10	A	1661	1567	0.09
11	A	1561	1472	2.69
12	A	1534	1447	1.16
13	A	1494	1409	0.89
14	A	1403	1323	0.99
15	A	1371	1292	2.50
16	A	1311	1237	0.23
17	A	1302	1228	1.53
18	A	1278	1205	0.12
19	A	1200	1132	0.90
20	A	1150	1084	1.26
21	A	1057	997	2.27
22	A	1048	989	2.65
23	A	985	929	1.61
24	A	946	892	5.18
25	A	931	878	0.62
26	A	874	824	0.34
27	A	870	821	0.02
28	A	854	805	46.82
29	A	791	746	18.61
30	A	785	740	0.83
31	A	678	639	14.23
32	A	634	598	0.16
33	A	499	470	10.74
34	A	356	336	0.47
35	A	271	256	0.59
36	A	62i	59i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	-1.193	0.003
H2	-0.077	-1.824	-0.874
H3	-0.073	-1.815	0.886
C4	1.534	-0.604	-0.003
H5	2.105	-0.922	-0.884
H6	2.113	-0.925	0.872
C7	-2.175	-0.020	-0.002
H8	-2.762	0.894	-0.003
H9	-2.727	-0.955	-0.003
C10	-0.832	0.011	0.000
C11	1.314	0.886	0.000
H12	2.134	1.600	0.000
C13	0.007	1.208	0.002
H14	-0.397	2.217	0.003

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.0947	1.0947	1.5491	2.2079	2.2080	2.5605	3.5427	2.8380	1.5230	2.4069	3.4539	2.4022	3.4457
H2	1.0947		1.7600	2.2001	2.3606	2.9411	2.9012	3.9185	2.9218	2.1682	3.1689	4.1678	3.1565	4.1470
H3	1.0947	1.7600		2.1994	2.9447	2.3598	2.9044	3.9201	2.9290	2.1676	3.1632	4.1613	3.1510	4.1408
C4	1.5491	2.2001	2.1994		1.0969	1.0969	3.7549	4.5497	4.2755	2.4449	1.5067	2.2842	2.3695	3.4188
H5	2.2079	2.3606	2.9447	1.0969		1.7559	4.4620	5.2687	4.9116	3.2061	2.1625	2.6723	3.1177	4.1108
H6	2.2080	2.9411	2.3598	1.0969	1.7559		4.4689	5.2763	4.9186	3.2109	2.1630	2.6711	3.1209	4.1142
C7	2.5605	2.9012	2.9044	3.7549	4.4620	4.4689		1.0860	1.0859	1.3432	3.6048	4.6032	2.5039	2.8572
H8	3.5427	3.9185	3.9201	4.5497	5.2687	5.2763	1.0860		1.8494	2.1221	4.0760	4.9463	2.7868	2.7096
H9	2.8380	2.9218	2.9290	4.2755	4.9116	4.9186	1.0859	1.8494		2.1268	4.4408	5.4913	3.4862	3.9356
C10	1.5230	2.1682	2.1676	2.4449	3.2061	3.2109	1.3432	2.1221	2.1268		2.3179	3.3648	1.4619	2.2484
C11	2.4069	3.1689	3.1632	1.5067	2.1625	2.1630	3.6048	4.0760	4.4408	2.3179		1.0868	1.3458	2.1677
H12	3.4539	4.1678	4.1613	2.2842	2.6723	2.6711	4.6032	4.9463	5.4913	3.3648	1.0868		2.1624	2.6051
C13	2.4022	3.1565	3.1510	2.3695	3.1177	3.1209	2.5039	2.7868	3.4862	1.4619	1.3458	2.1624		1.0871
H14	3.4457	4.1470	4.1408	3.4188	4.1108	4.1142	2.8572	2.7096	3.9356	2.2484	2.1677	2.6051	1.0871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.980	C1	C4	H6	111.989
C1	C4	C11	103.925	C1	C10	C7	126.478
C1	C10	C13	107.164	H2	C1	H3	107.005
H2	C1	C4	111.487	H2	C1	C10	110.786
H3	C1	C4	111.430	H3	C1	C10	110.729
C4	C1	C10	105.469	C4	C11	H12	122.642
C4	C11	C13	112.218	H5	C4	H6	106.334
H5	C4	C11	111.350	H6	C4	C11	111.390
C7	C10	C13	126.358	H8	C7	H9	116.743
H8	C7	C10	121.395	H9	C7	C10	121.862
C10	C13	C11	111.223	C10	C13	H14	123.117
C11	C13	H14	125.660	H12	C11	C13	125.140

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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