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	hartrees
Energy at 0K	-233.248752
Energy at 298.15K	-233.242175
HF Energy	-233.436466
Nuclear repulsion energy	216.620711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3112	12.54
2	A	3210	3097	17.97
3	A	3185	3074	2.93
4	A	3145	3035	5.34
5	A	3088	2980	22.09
6	A	3053	2946	23.06
7	A	3041	2935	14.31
8	A	3020	2915	41.57
9	A	1710	1651	23.62
10	A	1652	1594	0.71
11	A	1495	1443	2.35
12	A	1472	1420	0.83
13	A	1460	1409	0.94
14	A	1371	1323	0.58
15	A	1327	1281	1.44
16	A	1278	1233	0.66
17	A	1258	1214	1.57
18	A	1243	1199	0.13
19	A	1164	1124	0.86
20	A	1124	1085	1.58
21	A	1032	996	3.38
22	A	1012	977	2.79
23	A	986	951	1.99
24	A	960	926	2.09
25	A	916	884	6.98
26	A	892	861	31.53
27	A	852	822	0.47
28	A	851	821	11.01
29	A	798	770	4.99
30	A	777	750	0.69
31	A	684	660	7.45
32	A	628	606	0.36
33	A	521	503	10.26
34	A	358	346	0.87
35	A	296	286	0.47
36	A	60	58	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.102	-1.195	0.001
H2	-0.074	-1.826	-0.876
H3	-0.073	-1.824	0.879
C4	1.538	-0.601	-0.001
H5	2.118	-0.917	-0.877
H6	2.120	-0.918	0.875
C7	-2.173	-0.019	-0.000
H8	-2.757	0.895	-0.001
H9	-2.728	-0.952	-0.001
C10	-0.837	0.009	0.000
C11	1.309	0.891	-0.000
H12	2.125	1.605	-0.000
C13	0.007	1.204	0.000
H14	-0.403	2.207	0.000

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.0944	1.0944	1.5547	2.2166	2.2166	2.5602	3.5414	2.8397	1.5272	2.4098	3.4543	2.4006	3.4399
H2	1.0944		1.7551	2.2059	2.3726	2.9498	2.9048	3.9208	2.9284	2.1726	3.1715	4.1679	3.1550	4.1410
H3	1.0944	1.7551		2.2057	2.9505	2.3724	2.9054	3.9211	2.9298	2.1724	3.1703	4.1665	3.1538	4.1396
C4	1.5547	2.2059	2.2057		1.0974	1.0974	3.7560	4.5484	4.2802	2.4525	1.5089	2.2821	2.3666	3.4140
H5	2.2166	2.3726	2.9505	1.0974		1.7518	4.4702	5.2743	4.9243	3.2187	2.1660	2.6697	3.1182	4.1095
H6	2.2166	2.9498	2.3724	1.0974	1.7518		4.4716	5.2758	4.9257	3.2197	2.1661	2.6695	3.1189	4.1103
C7	2.5602	2.9048	2.9054	3.7560	4.4702	4.4716		1.0851	1.0851	1.3357	3.5981	4.5940	2.4990	2.8441
H8	3.5414	3.9208	3.9211	4.5484	5.2743	5.2758	1.0851		1.8468	2.1144	4.0658	4.9335	2.7812	2.6952
H9	2.8397	2.9284	2.9298	4.2802	4.9243	4.9257	1.0851	1.8468		2.1207	4.4367	5.4847	3.4817	3.9221
C10	1.5272	2.1726	2.1724	2.4525	3.2187	3.2197	1.3357	2.1144	2.1207		2.3197	3.3644	1.4623	2.2405
C11	2.4098	3.1715	3.1703	1.5089	2.1660	2.1661	3.5981	4.0658	4.4367	2.3197		1.0846	1.3389	2.1597
H12	3.4543	4.1679	4.1665	2.2821	2.6697	2.6695	4.5940	4.9335	5.4847	3.3644	1.0846		2.1558	2.5990
C13	2.4006	3.1550	3.1538	2.3666	3.1182	3.1189	2.4990	2.7812	3.4817	1.4623	1.3389	2.1558		1.0844
H14	3.4399	4.1410	4.1396	3.4140	4.1095	4.1103	2.8441	2.6952	3.9221	2.2405	2.1597	2.5990	1.0844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	112.297	C1	C4	H6	112.300
C1	C4	C11	103.581	C1	C10	C7	126.862
C1	C10	C13	106.576	H2	C1	H3	106.728
H2	C1	C4	111.541	H2	C1	C10	110.732
H3	C1	C4	111.522	H3	C1	C10	110.714
C4	C1	C10	105.676	C4	C11	H12	122.269
C4	C11	C13	112.381	H5	C4	H6	106.071
H5	C4	C11	111.363	H6	C4	C11	111.373
C7	C10	C13	126.562	H8	C7	H9	116.535
H8	C7	C10	121.462	H9	C7	C10	122.003
C10	C13	C11	111.786	C10	C13	H14	122.422
C11	C13	H14	125.792	H12	C11	C13	125.350

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

using model chemistry: G4

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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Number	Element	Mulliken
1	C	-0.310
2	H	0.117
3	H	0.117
4	C	-0.264
5	H	0.110
6	H	0.110
7	C	-0.441
8	H	0.099
9	H	0.099
10	C	0.369
11	C	-0.068
12	H	0.097
13	C	-0.127
14	H	0.093

	x	y	z	Total
	0.773	-0.168	0.000	0.791
CHELPG
AIM
ESP

<r²>	153.027
(<r²>)^1/2	12.370

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

using model chemistry: G4

States and conformations

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