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	hartrees
Energy at 0K	-232.023871
Energy at 298.15K	-232.032166
Nuclear repulsion energy	216.691847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3132	11.31
2	A	3181	3116	13.85
3	A	3154	3090	0.81
4	A	3105	3042	2.26
5	A	3055	2993	12.30
6	A	3009	2947	13.34
7	A	3004	2943	10.70
8	A	2972	2912	30.21
9	A	1707	1672	25.11
10	A	1639	1606	0.42
11	A	1471	1441	12.56
12	A	1450	1421	4.04
13	A	1435	1406	3.72
14	A	1361	1333	2.04
15	A	1312	1285	4.45
16	A	1275	1249	1.29
17	A	1243	1217	3.81
18	A	1211	1186	0.40
19	A	1149	1126	0.07
20	A	1109	1086	2.33
21	A	1033	1012	4.84
22	A	1017	996	5.77
23	A	970	950	5.63
24	A	968	948	5.25
25	A	928	909	8.51
26	A	879	861	56.73
27	A	869	852	1.27
28	A	839	822	10.58
29	A	788	772	0.55
30	A	783	767	12.23
31	A	662	649	12.49
32	A	637	624	0.44
33	A	515	504	20.07
34	A	353	346	0.47
35	A	296	290	0.85
36	A	68	66	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.103	-1.185	0.001
H2	-0.078	-1.823	-0.884
H3	-0.077	-1.821	0.886
C4	1.531	-0.599	-0.000
H5	2.117	-0.923	-0.884
H6	2.119	-0.923	0.882
C7	-2.174	-0.021	-0.000
H8	-2.764	0.901	-0.000
H9	-2.731	-0.963	-0.000
C10	-0.830	0.011	0.000
C11	1.314	0.883	-0.000
H12	2.140	1.600	-0.000
C13	0.003	1.201	0.000
H14	-0.412	2.213	0.000

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1051	1.1051	1.5438	2.2157	2.2158	2.5567	3.5455	2.8419	1.5166	2.3968	3.4508	2.3881	3.4366
H2	1.1051		1.7699	2.2061	2.3729	2.9585	2.9012	3.9259	2.9246	2.1699	3.1686	4.1733	3.1512	4.1446
H3	1.1051	1.7699		2.2059	2.9591	2.3727	2.9017	3.9261	2.9259	2.1697	3.1676	4.1721	3.1502	4.1435
C4	1.5438	2.2061	2.2059		1.1084	1.1084	3.7494	4.5496	4.2770	2.4383	1.4978	2.2818	2.3609	3.4176
H5	2.2157	2.3729	2.9591	1.1084		1.7652	4.4727	5.2854	4.9278	3.2153	2.1646	2.6727	3.1240	4.1240
H6	2.2158	2.9585	2.3727	1.1084	1.7652		4.4740	5.2868	4.9291	3.2162	2.1648	2.6726	3.1247	4.1247
C7	2.5567	2.9012	2.9017	3.7494	4.4727	4.4740		1.0948	1.0946	1.3442	3.6030	4.6084	2.4963	2.8452
H8	3.5455	3.9259	3.9261	4.5496	5.2854	5.2868	1.0948		1.8644	2.1294	4.0786	4.9543	2.7838	2.6940
H9	2.8419	2.9246	2.9259	4.2770	4.9278	4.9291	1.0946	1.8644		2.1359	4.4462	5.5041	3.4868	3.9327
C10	1.5166	2.1699	2.1697	2.4383	3.2153	3.2162	1.3442	2.1294	2.1359		2.3145	3.3684	1.4525	2.2412
C11	2.3968	3.1686	3.1676	1.4978	2.1646	2.1648	3.6030	4.0786	4.4462	2.3145		1.0938	1.3490	2.1787
H12	3.4508	4.1733	4.1721	2.2818	2.6727	2.6726	4.6084	4.9543	5.5041	3.3684	1.0938		2.1741	2.6245
C13	2.3881	3.1512	3.1502	2.3609	3.1240	3.1247	2.4963	2.7838	3.4868	1.4525	1.3490	2.1741		1.0936
H14	3.4366	4.1446	4.1435	3.4176	4.1240	4.1247	2.8452	2.6940	3.9327	2.2412	2.1787	2.6245	1.0936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	112.283	C1	C4	H6	112.288
C1	C4	C11	103.990	C1	C10	C7	126.577
C1	C10	C13	107.064	H2	C1	H3	106.415
H2	C1	C4	111.714	H2	C1	C10	110.740
H3	C1	C4	111.698	H3	C1	C10	110.725
C4	C1	C10	105.631	C4	C11	H12	122.629
C4	C11	C13	111.953	H5	C4	H6	105.553
H5	C4	C11	111.442	H6	C4	C11	111.454
C7	C10	C13	126.358	H8	C7	H9	116.762
H8	C7	C10	121.294	H9	C7	C10	121.944
C10	C13	C11	111.362	C10	C13	H14	122.718
C11	C13	H14	125.920	H12	C11	C13	125.418

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

using model chemistry: LSDA/6-31G

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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Number	Element	Mulliken
1	C	-0.397
2	H	0.186
3	H	0.186
4	C	-0.384
5	H	0.178
6	H	0.178
7	C	-0.420
8	H	0.140
9	H	0.139
10	C	0.114
11	C	-0.160
12	H	0.152
13	C	-0.064
14	H	0.151

	x	y	z	Total
	0.844	-0.319	0.000	0.902
CHELPG
AIM
ESP

	x	y	z
x	13.945	-0.007	0.000
y	-0.007	8.790	0.000
z	0.000	0.000	4.824

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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