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	hartrees
Energy at 0K	-232.653291
Energy at 298.15K	-232.661635
HF Energy	-231.846679
Nuclear repulsion energy	215.636228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3291	3135	8.88
2	A	3253	3098	13.46
3	A	3228	3075	1.63
4	A	3187	3036	3.83
5	A	3163	3013	17.68
6	A	3133	2984	18.19
7	A	3094	2947	14.59
8	A	3074	2928	33.41
9	A	1713	1632	8.28
10	A	1631	1554	0.25
11	A	1486	1415	3.15
12	A	1459	1390	2.29
13	A	1454	1384	1.20
14	A	1372	1307	0.92
15	A	1334	1271	1.72
16	A	1285	1224	0.52
17	A	1266	1206	0.18
18	A	1232	1173	1.23
19	A	1162	1107	1.36
20	A	1107	1054	1.11
21	A	1030	981	5.56
22	A	1022	973	1.75
23	A	971	925	2.34
24	A	950	905	1.36
25	A	935	891	4.69
26	A	882	840	0.38
27	A	871	830	32.65
28	A	835	795	5.76
29	A	803	765	11.77
30	A	748	713	2.42
31	A	675	643	10.71
32	A	631	601	1.72
33	A	491	468	10.83
34	A	351	335	0.58
35	A	288	274	1.06
36	A	94	89	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.103	-1.187	0.141
H2	-0.177	-2.005	-0.542
H3	0.053	-1.582	1.171
C4	1.519	-0.617	-0.133
H5	1.864	-0.860	-1.157
H6	2.280	-1.015	0.560
C7	-2.181	-0.019	-0.092
H8	-2.762	0.908	-0.148
H9	-2.727	-0.966	-0.137
C10	-0.834	0.012	0.027
C11	1.328	0.879	0.006
H12	2.157	1.595	-0.002
C13	0.014	1.213	0.073
H14	-0.382	2.233	0.125

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1018	1.1047	1.5508	2.2115	2.2236	2.5758	3.5602	2.8521	1.5253	2.4054	3.4606	2.4026	3.4535
H2	1.1018		1.7797	2.2289	2.4189	2.8688	2.8575	3.9141	2.7836	2.1962	3.2986	4.3237	3.2817	4.2944
H3	1.1047	1.7797		2.1866	3.0360	2.3773	3.0053	3.9827	3.1338	2.1530	3.0064	3.9865	3.0037	3.9795
C4	1.5508	2.2289	2.1866		1.1068	1.1037	3.7482	4.5440	4.2603	2.4404	1.5146	2.3058	2.3786	3.4350
H5	2.2115	2.4189	3.0360	1.1068		1.7735	4.2662	5.0533	4.7039	3.0720	2.1594	2.7287	3.0383	4.0307
H6	2.2236	2.8688	2.3773	1.1037	1.7735		4.6168	5.4416	5.0553	3.3211	2.1906	2.6722	3.2150	4.2211
C7	2.5758	2.8575	3.0053	3.7482	4.2662	4.6168		1.0946	1.0945	1.3531	3.6232	4.6288	2.5220	2.8899
H8	3.5602	3.9141	3.9827	4.5440	5.0533	5.4416	1.0946		1.8740	2.1332	4.0926	4.9681	2.8007	2.7374
H9	2.8521	2.7836	3.1338	4.2603	4.7039	5.0553	1.0945	1.8740		2.1375	4.4573	5.5160	3.5077	3.9749
C10	1.5253	2.1962	2.1530	2.4404	3.0720	3.3211	1.3531	2.1332	2.1375		2.3290	3.3834	1.4706	2.2682
C11	2.4054	3.2986	3.0064	1.5146	2.1594	2.1906	3.6232	4.0926	4.4573	2.3290		1.0951	1.3577	2.1839
H12	3.4606	4.3237	3.9865	2.3058	2.7287	2.6722	4.6288	4.9681	5.5160	3.3834	1.0951		2.1779	2.6203
C13	2.4026	3.2817	3.0037	2.3786	3.0383	3.2150	2.5220	2.8007	3.5077	1.4706	1.3577	2.1779		1.0946
H14	3.4535	4.2944	3.9795	3.4350	4.0307	4.2211	2.8899	2.7374	3.9749	2.2682	2.1839	2.6203	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.549	C1	C4	H6	112.699
C1	C4	C11	103.383	C1	C10	C7	126.885
C1	C10	C13	106.619	H2	C1	H3	107.529
H2	C1	C4	113.253	H2	C1	C10	112.435
H3	C1	C4	109.717	H3	C1	C10	108.845
C4	C1	C10	104.994	C4	C11	H12	123.344
C4	C11	C13	111.697	H5	C4	H6	106.702
H5	C4	C11	109.951	H6	C4	C11	112.631
C7	C10	C13	126.496	H8	C7	H9	117.753
H8	C7	C10	120.911	H9	C7	C10	121.336
C10	C13	C11	110.796	C10	C13	H14	123.646
C11	C13	H14	125.538	H12	C11	C13	124.881

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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