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	hartrees
Energy at 0K	-38.252019
Energy at 298.15K	-38.260260
HF Energy	-37.534755
Nuclear repulsion energy	112.496536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	3107	14.84
2	A	3238	3074	15.62
3	A	3209	3047	2.51
4	A	3185	3024	8.09
5	A	3177	3016	32.01
6	A	3149	2990	18.73
7	A	3103	2946	26.31
8	A	3085	2929	40.09
9	A	1712	1626	10.44
10	A	1627	1545	0.84
11	A	1526	1449	3.42
12	A	1497	1421	2.32
13	A	1466	1392	0.86
14	A	1376	1306	1.35
15	A	1354	1285	2.83
16	A	1314	1247	0.44
17	A	1273	1209	0.73
18	A	1254	1190	1.27
19	A	1185	1125	1.95
20	A	1112	1056	1.30
21	A	1037	984	7.00
22	A	1025	973	2.76
23	A	962	914	2.75
24	A	955	907	4.36
25	A	929	882	5.41
26	A	883	838	1.85
27	A	840	797	2.21
28	A	804	763	6.29
29	A	793	752	100.12
30	A	742	705	8.47
31	A	673	639	14.62
32	A	619	588	1.89
33	A	484	460	14.67
34	A	339	322	0.60
35	A	289	274	1.73
36	A	89	85	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.115	-1.180	0.139
H2	-0.151	-1.989	-0.563
H3	0.065	-1.586	1.166
C4	1.537	-0.589	-0.131
H5	1.889	-0.831	-1.153
H6	2.293	-0.974	0.578
C7	-2.209	-0.023	-0.086
H8	-2.797	0.900	-0.142
H9	-2.752	-0.975	-0.122
C10	-0.840	0.019	0.024
C11	1.330	0.919	0.010
H12	2.154	1.642	0.013
C13	-0.004	1.244	0.069
H14	-0.417	2.257	0.124

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1035	1.1051	1.5635	2.2217	2.2310	2.6061	3.5899	2.8857	1.5372	2.4295	3.4841	2.4281	3.4778
H2	1.1035		1.7884	2.2349	2.4181	2.8813	2.8861	3.9404	2.8263	2.2027	3.3137	4.3391	3.2973	4.3089
H3	1.1051	1.7884		2.2004	3.0446	2.3837	3.0300	4.0102	3.1566	2.1674	3.0354	4.0140	3.0358	4.0104
C4	1.5635	2.2349	2.2004		1.1071	1.1052	3.7891	4.5831	4.3059	2.4582	1.5292	2.3195	2.4035	3.4613
H5	2.2217	2.4181	3.0446	1.1071		1.7827	4.3108	5.0967	4.7555	3.0904	2.1741	2.7468	3.0628	4.0591
H6	2.2310	2.8813	2.3837	1.1052	1.7827		4.6489	5.4716	5.0925	3.3323	2.1987	2.6801	3.2336	4.2409
C7	2.6061	2.8861	3.0300	3.7891	4.3108	4.6489		1.0958	1.0957	1.3747	3.6643	4.6713	2.5477	2.9076
H8	3.5899	3.9404	4.0102	4.5831	5.0967	5.4716	1.0958		1.8750	2.1531	4.1306	5.0092	2.8219	2.7530
H9	2.8857	2.8263	3.1566	4.3059	4.7555	5.0925	1.0957	1.8750		2.1597	4.5019	5.5614	3.5362	3.9940
C10	1.5372	2.2027	2.1674	2.4582	3.0904	3.3323	1.3747	2.1531	2.1597		2.3494	3.4053	1.4831	2.2792
C11	2.4295	3.3137	3.0354	1.5292	2.1741	2.1987	3.6643	4.1306	4.5019	2.3494		1.0957	1.3750	2.2031
H12	3.4841	4.3391	4.0140	2.3195	2.7468	2.6801	4.6713	5.0092	5.5614	3.4053	1.0957		2.1956	2.6455
C13	2.4281	3.2973	3.0358	2.4035	3.0628	3.2336	2.5477	2.8219	3.5362	1.4831	1.3750	2.1956		1.0947
H14	3.4778	4.3089	4.0104	3.4613	4.0591	4.2409	2.9076	2.7530	3.9940	2.2792	2.2031	2.6455	1.0947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.444	C1	C4	H6	112.299
C1	C4	C11	103.539	C1	C10	C7	126.919
C1	C10	C13	107.003	H2	C1	H3	108.140
H2	C1	C4	112.717	H2	C1	C10	112.007
H3	C1	C4	109.896	H3	C1	C10	109.129
C4	C1	C10	104.893	C4	C11	H12	123.319
C4	C11	C13	111.591	H5	C4	H6	107.373
H5	C4	C11	110.082	H6	C4	C11	112.145
C7	C10	C13	126.075	H8	C7	H9	117.647
H8	C7	C10	120.857	H9	C7	C10	121.496
C10	C13	C11	110.516	C10	C13	H14	123.597
C11	C13	H14	125.880	H12	C11	C13	125.027

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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