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	hartrees
Energy at 0K	-232.743995
Energy at 298.15K
HF Energy	-231.849546
Nuclear repulsion energy	216.657394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3329	3102	14.41
2	A	3310	3083	16.96
3	A	3286	3061	2.99
4	A	3240	3019	6.85
5	A	3197	2978	21.51
6	A	3164	2947	10.37
7	A	3151	2935	25.63
8	A	3128	2914	35.30
9	A	1766	1645	17.57
10	A	1697	1581	1.56
11	A	1559	1452	2.91
12	A	1530	1426	1.37
13	A	1505	1402	0.70
14	A	1416	1320	0.80
15	A	1382	1288	1.84
16	A	1326	1235	1.24
17	A	1312	1223	0.86
18	A	1270	1183	0.04
19	A	1192	1110	2.68
20	A	1156	1077	1.27
21	A	1056	983	2.31
22	A	1048	976	2.43
23	A	985	918	2.16
24	A	956	891	0.56
25	A	942	878	6.06
26	A	874	814	0.22
27	A	866	806	3.75
28	A	855	796	56.31
29	A	791	737	1.08
30	A	786	732	19.59
31	A	676	630	16.04
32	A	639	595	0.26
33	A	488	455	12.97
34	A	359	335	0.54
35	A	265	247	1.88
36	A	72i	67i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.100	-1.195	0.001
H2	-0.076	-1.817	-0.875
H3	-0.075	-1.815	0.878
C4	1.536	-0.608	-0.001
H5	2.105	-0.922	-0.877
H6	2.107	-0.923	0.874
C7	-2.178	-0.017	-0.001
H8	-2.760	0.893	-0.001
H9	-2.729	-0.947	-0.001
C10	-0.838	0.010	0.000
C11	1.315	0.887	0.000
H12	2.133	1.593	-0.000
C13	0.012	1.211	0.000
H14	-0.390	2.213	0.001

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.0889	1.0889	1.5514	2.2055	2.2055	2.5641	3.5407	2.8395	1.5263	2.4111	3.4508	2.4076	3.4433
H2	1.0889		1.7537	2.1968	2.3574	2.9366	2.9023	3.9133	2.9258	2.1643	3.1650	4.1567	3.1538	4.1368
H3	1.0889	1.7537		2.1966	2.9375	2.3571	2.9031	3.9137	2.9277	2.1641	3.1636	4.1551	3.1524	4.1352
C4	1.5514	2.1968	2.1966		1.0907	1.0907	3.7603	4.5501	4.2781	2.4524	1.5111	2.2807	2.3725	3.4157
H5	2.2055	2.3574	2.9375	1.0907		1.7503	4.4639	5.2653	4.9124	3.2084	2.1598	2.6640	3.1140	4.1016
H6	2.2055	2.9366	2.3571	1.0907	1.7503		4.4656	5.2672	4.9141	3.2096	2.1599	2.6636	3.1148	4.1024
C7	2.5641	2.9023	2.9031	3.7603	4.4639	4.4656		1.0805	1.0805	1.3405	3.6086	4.6017	2.5113	2.8589
H8	3.5407	3.9133	3.9137	4.5501	5.2653	5.2672	1.0805		1.8403	2.1154	4.0751	4.9422	2.7902	2.7127
H9	2.8395	2.9258	2.9277	4.2781	4.9124	4.9141	1.0805	1.8403		2.1193	4.4408	5.4853	3.4887	3.9317
C10	1.5263	2.1643	2.1641	2.4524	3.2084	3.2096	1.3405	2.1154	2.1193		2.3251	3.3662	1.4718	2.2488
C11	2.4111	3.1650	3.1636	1.5111	2.1598	2.1599	3.6086	4.0751	4.4408	2.3251		1.0801	1.3427	2.1603
H12	3.4508	4.1567	4.1551	2.2807	2.6640	2.6636	4.6017	4.9422	5.4853	3.3662	1.0801		2.1545	2.5976
C13	2.4076	3.1538	3.1524	2.3725	3.1140	3.1148	2.5113	2.7902	3.4887	1.4718	1.3427	2.1545		1.0800
H14	3.4433	4.1368	4.1352	3.4157	4.1016	4.1024	2.8589	2.7127	3.9317	2.2488	2.1603	2.5976	1.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.993	C1	C4	H6	111.994
C1	C4	C11	103.857	C1	C10	C7	126.741
C1	C10	C13	106.830	H2	C1	H3	107.272
H2	C1	C4	111.409	H2	C1	C10	110.590
H3	C1	C4	111.393	H3	C1	C10	110.576
C4	C1	C10	105.651	C4	C11	H12	122.448
C4	C11	C13	112.339	H5	C4	H6	106.708
H5	C4	C11	111.191	H6	C4	C11	111.199
C7	C10	C13	126.430	H8	C7	H9	116.764
H8	C7	C10	121.425	H9	C7	C10	121.811
C10	C13	C11	111.324	C10	C13	H14	122.853
C11	C13	H14	125.823	H12	C11	C13	125.213

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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