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	hartrees
Energy at 0K	-232.783929
Energy at 298.15K	-232.792281
HF Energy	-231.869573
Nuclear repulsion energy	216.875157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3275	3102	10.95
2	A	3240	3068	16.61
3	A	3217	3046	2.46
4	A	3179	3011	5.03
5	A	3155	2989	20.15
6	A	3127	2962	19.79
7	A	3091	2927	15.00
8	A	3072	2910	33.11
9	A	1711	1621	11.30
10	A	1631	1544	0.08
11	A	1532	1451	5.13
12	A	1506	1427	3.86
13	A	1468	1390	1.30
14	A	1380	1307	1.56
15	A	1351	1279	3.46
16	A	1312	1242	0.37
17	A	1286	1218	0.48
18	A	1251	1185	2.07
19	A	1191	1128	1.59
20	A	1127	1068	1.26
21	A	1045	990	5.28
22	A	1031	977	2.18
23	A	976	924	2.41
24	A	941	891	5.59
25	A	924	875	1.07
26	A	889	842	1.09
27	A	843	798	0.36
28	A	822	778	44.48
29	A	800	757	23.22
30	A	752	712	5.04
31	A	668	633	18.15
32	A	637	603	2.36
33	A	491	465	12.78
34	A	356	338	0.50
35	A	289	274	1.69
36	A	102	97	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-1.180	0.153
H2	-0.182	-2.001	-0.510
H3	0.066	-1.556	1.181
C4	1.509	-0.615	-0.145
H5	1.827	-0.854	-1.167
H6	2.275	-1.015	0.527
C7	-2.167	-0.018	-0.100
H8	-2.747	0.897	-0.161
H9	-2.712	-0.955	-0.148
C10	-0.830	0.013	0.032
C11	1.321	0.874	0.006
H12	2.145	1.582	-0.004
C13	0.016	1.207	0.078
H14	-0.375	2.219	0.137

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.0927	1.0952	1.5446	2.1965	2.2109	2.5621	3.5404	2.8389	1.5186	2.3934	3.4393	2.3901	3.4325
H2	1.0927		1.7662	2.2166	2.4055	2.8435	2.8357	3.8863	2.7612	2.1838	3.2854	4.3026	3.2679	4.2739
H3	1.0952	1.7662		2.1733	3.0181	2.3664	2.9988	3.9665	3.1372	2.1405	2.9768	3.9462	2.9751	3.9408
C4	1.5446	2.2166	2.1733		1.0972	1.0943	3.7241	4.5168	4.2341	2.4278	1.5090	2.2921	2.3662	3.4146
H5	2.1965	2.4055	3.0181	1.0972		1.7598	4.2176	5.0002	4.6530	3.0410	2.1489	2.7179	3.0130	3.9988
H6	2.2109	2.8435	2.3664	1.0943	1.7598		4.5953	5.4177	5.0324	3.3075	2.1796	2.6538	3.1999	4.1986
C7	2.5621	2.8357	2.9988	3.7241	4.2176	4.5953		1.0853	1.0852	1.3439	3.6015	4.6001	2.5095	2.8759
H8	3.5404	3.8863	3.9665	4.5168	5.0002	5.4177	1.0853		1.8528	2.1205	4.0715	4.9424	2.7910	2.7321
H9	2.8389	2.7612	3.1372	4.2341	4.6530	5.0324	1.0852	1.8528		2.1237	4.4307	5.4813	3.4882	3.9518
C10	1.5186	2.1838	2.1405	2.4278	3.0410	3.3075	1.3439	2.1205	2.1237		2.3170	3.3637	1.4645	2.2552
C11	2.3934	3.2854	2.9768	1.5090	2.1489	2.1796	3.6015	4.0715	4.4307	2.3170		1.0864	1.3484	2.1679
H12	3.4393	4.3026	3.9462	2.2921	2.7179	2.6538	4.6001	4.9424	5.4813	3.3637	1.0864		2.1631	2.6027
C13	2.3901	3.2679	2.9751	2.3662	3.0130	3.1999	2.5095	2.7910	3.4882	1.4645	1.3484	2.1631		1.0862
H14	3.4325	4.2739	3.9408	3.4146	3.9988	4.1986	2.8759	2.7321	3.9518	2.2552	2.1679	2.6027	1.0862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.363	C1	C4	H6	112.698
C1	C4	C11	103.210	C1	C10	C7	126.922
C1	C10	C13	106.478	H2	C1	H3	107.651
H2	C1	C4	113.265	H2	C1	C10	112.474
H3	C1	C4	109.651	H3	C1	C10	108.877
C4	C1	C10	104.848	C4	C11	H12	123.220
C4	C11	C13	111.685	H5	C4	H6	106.832
H5	C4	C11	110.079	H6	C4	C11	112.726
C7	C10	C13	126.599	H8	C7	H9	117.212
H8	C7	C10	121.234	H9	C7	C10	121.553
C10	C13	C11	110.848	C10	C13	H14	123.614
C11	C13	H14	125.520	H12	C11	C13	125.005

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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