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	hartrees
Energy at 0K	-232.746846
Energy at 298.15K	-232.755228
HF Energy	-231.901304
Nuclear repulsion energy	217.490099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3116	9.19
2	A	3255	3085	13.91
3	A	3231	3063	1.77
4	A	3191	3025	5.08
5	A	3162	2997	19.58
6	A	3136	2973	20.27
7	A	3092	2931	15.36
8	A	3075	2915	33.27
9	A	1708	1619	12.90
10	A	1625	1540	0.55
11	A	1516	1437	3.14
12	A	1491	1413	2.72
13	A	1475	1398	0.75
14	A	1382	1310	1.09
15	A	1351	1280	1.95
16	A	1313	1244	0.37
17	A	1286	1219	0.19
18	A	1234	1169	1.92
19	A	1181	1120	2.82
20	A	1128	1069	0.90
21	A	1048	993	5.22
22	A	1020	967	1.76
23	A	970	920	2.42
24	A	939	890	0.37
25	A	935	886	5.64
26	A	894	847	1.16
27	A	841	797	0.78
28	A	795	754	7.24
29	A	747	708	4.92
30	A	729	691	52.42
31	A	660	625	22.28
32	A	639	605	1.01
33	A	491	466	8.50
34	A	360	341	0.58
35	A	289	274	1.50
36	A	129	122	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	-1.142	-0.361
H2	-0.037	-2.180	-0.091
H3	-0.498	-1.091	-1.427
C4	-1.441	-0.504	0.364
H5	-1.243	-0.636	1.430
H6	-2.421	-0.899	0.102
C7	2.090	-0.070	0.227
H8	2.529	0.861	0.378
H9	2.674	-0.918	0.347
C10	0.778	-0.090	-0.095
C11	-1.215	0.907	0.012
H12	-1.943	1.641	-0.025
C13	0.098	1.101	-0.200
H14	0.545	2.013	-0.394

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.0920	1.0963	1.5370	2.1122	2.2383	2.6365	3.5008	3.0122	1.4916	2.2976	3.2772	2.2748	3.2526
H2	1.0920		1.7838	2.2326	2.4802	2.7132	3.0133	4.0065	3.0224	2.2432	3.3052	4.2697	3.2851	4.2435
H3	1.0963	1.7838		2.1065	2.9870	2.4642	3.2372	4.0288	3.6386	2.0983	2.5641	3.3929	2.5811	3.4333
C4	1.5370	2.2326	2.1065		1.0925	1.0889	3.5604	4.1979	4.1356	2.3030	1.4714	2.2367	2.2935	3.2939
H5	2.1122	2.4802	2.9870	1.0925		1.7943	3.5890	4.1926	4.0741	2.5902	2.0954	2.7909	2.7336	3.6794
H6	2.2383	2.7132	2.4642	1.0889	1.7943		4.5890	5.2611	5.1012	3.3057	2.1736	2.5873	3.2304	4.1858
C7	2.6365	3.0133	3.2372	3.5604	3.5890	4.5890		1.0400	1.0366	1.3519	3.4532	4.3883	2.3503	2.6668
H8	3.5008	4.0065	4.0288	4.1979	4.1926	5.2611	1.0400		1.7853	2.0482	3.7619	4.5573	2.5106	2.4206
H9	3.0122	3.0224	3.6386	4.1356	4.0741	5.1012	1.0366	1.7853		2.1160	4.3088	5.2917	3.3185	3.6976
C10	1.4916	2.2432	2.0983	2.3030	2.5902	3.3057	1.3519	2.0482	2.1160		2.2305	3.2251	1.3751	2.1364
C11	2.2976	3.3052	2.5641	1.4714	2.0954	2.1736	3.4532	3.7619	4.3088	2.2305		1.0344	1.3437	2.1175
H12	3.2772	4.2697	3.3929	2.2367	2.7909	2.5873	4.3883	4.5573	5.2917	3.2251	1.0344		2.1181	2.5422
C13	2.2748	3.2851	2.5811	2.2935	2.7336	3.2304	2.3503	2.5106	3.3185	1.3751	1.3437	2.1181		1.0339
H14	3.2526	4.2435	3.4333	3.2939	3.6794	4.1858	2.6668	2.4206	3.6976	2.1364	2.1175	2.5422	1.0339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	105.641	C1	C4	H6	115.892
C1	C4	C11	99.564	C1	C10	C7	135.961
C1	C10	C13	104.962	H2	C1	H3	109.210
H2	C1	C4	115.208	H2	C1	C10	119.718
H3	C1	C4	105.019	H3	C1	C10	107.373
C4	C1	C10	98.991	C4	C11	H12	125.498
C4	C11	C13	109.034	H5	C4	H6	110.682
H5	C4	C11	108.729	H6	C4	C11	115.388
C7	C10	C13	119.054	H8	C7	H9	118.571
H8	C7	C10	117.215	H9	C7	C10	124.206
C10	C13	C11	110.244	C10	C13	H14	124.348
C11	C13	H14	125.393	H12	C11	C13	125.419

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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