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	hartrees
Energy at 0K	-38.327813
Energy at 298.15K	-38.336118
HF Energy	-37.557749
Nuclear repulsion energy	113.443619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3114	13.89
2	A	3228	3075	20.65
3	A	3205	3054	3.56
4	A	3168	3019	7.55
5	A	3148	2999	27.82
6	A	3121	2974	24.05
7	A	3077	2932	20.83
8	A	3060	2916	42.03
9	A	1687	1608	12.00
10	A	1604	1528	0.54
11	A	1531	1458	3.39
12	A	1506	1435	2.67
13	A	1467	1398	0.62
14	A	1372	1307	1.07
15	A	1350	1286	2.39
16	A	1313	1251	0.36
17	A	1277	1217	0.27
18	A	1237	1179	1.85
19	A	1179	1123	2.60
20	A	1119	1066	1.07
21	A	1041	992	5.24
22	A	1020	971	1.84
23	A	966	920	2.16
24	A	931	887	5.38
25	A	909	866	1.27
26	A	882	840	1.69
27	A	834	794	1.11
28	A	797	759	9.79
29	A	749	714	28.94
30	A	732	698	45.37
31	A	664	632	25.11
32	A	628	599	1.03
33	A	487	464	9.19
34	A	353	337	0.50
35	A	292	278	1.25
36	A	116	110	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.110	-1.168	0.172
H2	-0.176	-2.007	-0.470
H3	0.097	-1.515	1.214
C4	1.516	-0.591	-0.161
H5	1.799	-0.816	-1.200
H6	2.303	-0.994	0.486
C7	-2.182	-0.021	-0.108
H8	-2.771	0.892	-0.176
H9	-2.718	-0.966	-0.154
C10	-0.837	0.023	0.036
C11	1.320	0.908	0.011
H12	2.141	1.623	0.006
C13	0.003	1.234	0.086
H14	-0.397	2.244	0.154

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.0952	1.0979	1.5553	2.2045	2.2224	2.5787	3.5585	2.8537	1.5276	2.4080	3.4555	2.4059	3.4495
H2	1.0952		1.7756	2.2279	2.4199	2.8447	2.8462	3.9014	2.7645	2.1941	3.3119	4.3331	3.2937	4.3025
H3	1.0979	1.7756		2.1812	3.0354	2.3812	3.0289	3.9932	3.1768	2.1504	2.9689	3.9351	2.9728	3.9366
C4	1.5553	2.2279	2.1812		1.0997	1.0966	3.7417	4.5355	4.2496	2.4391	1.5215	2.3068	2.3832	3.4346
H5	2.2045	2.4199	3.0354	1.0997		1.7690	4.2042	4.9849	4.6389	3.0298	2.1602	2.7419	3.0137	4.0026
H6	2.2224	2.8447	2.3812	1.0966	1.7690		4.6281	5.4534	5.0617	3.3312	2.1931	2.6656	3.2270	4.2293
C7	2.5787	2.8462	3.0289	3.7417	4.2042	4.6281		1.0877	1.0874	1.3536	3.6248	4.6259	2.5272	2.8949
H8	3.5585	3.9014	3.9932	4.5355	4.9849	5.4534	1.0877		1.8582	2.1307	4.0949	4.9689	2.8073	2.7514
H9	2.8537	2.7645	3.1768	4.2496	4.6389	5.0617	1.0874	1.8582		2.1333	4.4541	5.5073	3.5071	3.9723
C10	1.5276	2.1941	2.1504	2.4391	3.0298	3.3312	1.3536	2.1307	2.1333		2.3313	3.3803	1.4748	2.2671
C11	2.4080	3.3119	2.9689	1.5215	2.1602	2.1931	3.6248	4.0949	4.4541	2.3313		1.0887	1.3586	2.1805
H12	3.4555	4.3331	3.9351	2.3068	2.7419	2.6656	4.6259	4.9689	5.5073	3.3803	1.0887		2.1741	2.6171
C13	2.4059	3.2937	2.9728	2.3832	3.0137	3.2270	2.5272	2.8073	3.5071	1.4748	1.3586	2.1741		1.0885
H14	3.4495	4.3025	3.9366	3.4346	4.0026	4.2293	2.8949	2.7514	3.9723	2.2671	2.1805	2.6171	1.0885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.102	C1	C4	H6	112.720
C1	C4	C11	103.001	C1	C10	C7	126.913
C1	C10	C13	106.502	H2	C1	H3	108.117
H2	C1	C4	113.260	H2	C1	C10	112.508
H3	C1	C4	109.384	H3	C1	C10	108.876
C4	C1	C10	104.587	C4	C11	H12	123.355
C4	C11	C13	111.559	H5	C4	H6	107.305
H5	C4	C11	109.955	H6	C4	C11	112.782
C7	C10	C13	126.585	H8	C7	H9	117.368
H8	C7	C10	121.178	H9	C7	C10	121.453
C10	C13	C11	110.667	C10	C13	H14	123.665
C11	C13	H14	125.657	H12	C11	C13	124.972

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

using model chemistry: MP2/CEP-121G*

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-121G*

States and conformations

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