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	hartrees
Energy at 0K	-233.310471
Energy at 298.15K	-233.318596
Nuclear repulsion energy	214.577817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3135	19.34
2	A	3134	3117	22.01
3	A	3112	3095	4.92
4	A	3072	3055	8.65
5	A	3013	2997	20.89
6	A	2980	2964	28.62
7	A	2962	2947	15.86
8	A	2944	2929	48.35
9	A	1629	1620	33.37
10	A	1578	1570	1.55
11	A	1459	1451	4.94
12	A	1436	1428	1.29
13	A	1421	1413	0.34
14	A	1331	1324	0.83
15	A	1282	1275	2.14
16	A	1243	1236	0.25
17	A	1217	1210	2.47
18	A	1203	1197	0.01
19	A	1130	1124	1.94
20	A	1094	1088	2.01
21	A	996	991	2.66
22	A	974	969	3.20
23	A	935	930	2.03
24	A	930	925	3.10
25	A	881	876	9.06
26	A	836	832	36.57
27	A	821	816	0.51
28	A	819	814	22.47
29	A	763	759	9.42
30	A	753	749	0.87
31	A	643	640	12.28
32	A	609	605	0.66
33	A	501	498	17.83
34	A	352	350	0.61
35	A	289	287	1.66
36	A	58	57	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.104	-1.205	0.000
H2	-0.072	-1.839	-0.884
H3	-0.072	-1.838	0.886
C4	1.555	-0.605	-0.000
H5	2.139	-0.924	-0.883
H6	2.139	-0.924	0.882
C7	-2.198	-0.021	-0.000
H8	-2.787	0.900	-0.000
H9	-2.754	-0.962	-0.000
C10	-0.843	0.010	0.000
C11	1.324	0.898	0.000
H12	2.142	1.622	0.000
C13	0.003	1.212	0.000
H14	-0.406	2.226	0.000

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	C11	H12	C13	H14
C1		1.1024	1.1024	1.5695	2.2357	2.2357	2.5894	3.5769	2.8689	1.5410	2.4310	3.4852	2.4197	3.4685
H2	1.1024		1.7700	2.2248	2.3924	2.9745	2.9340	3.9570	2.9573	2.1900	3.1968	4.2027	3.1777	4.1729
H3	1.1024	1.7700		2.2247	2.9748	2.3924	2.9343	3.9571	2.9579	2.1899	3.1963	4.2021	3.1772	4.1723
C4	1.5695	2.2248	2.2247		1.1057	1.1057	3.7980	4.5953	4.3236	2.4752	1.5204	2.3033	2.3894	3.4433
H5	2.2357	2.3924	2.9748	1.1057		1.7656	4.5170	5.3264	4.9721	3.2469	2.1823	2.6949	3.1470	4.1442
H6	2.2357	2.9745	2.3924	1.1057	1.7656		4.5177	5.3271	4.9727	3.2474	2.1823	2.6948	3.1473	4.1446
C7	2.5894	2.9340	2.9343	3.7980	4.5170	4.5177		1.0933	1.0932	1.3556	3.6399	4.6409	2.5233	2.8735
H8	3.5769	3.9570	3.9571	4.5953	5.3264	5.3271	1.0933		1.8626	2.1383	4.1110	4.9818	2.8078	2.7249
H9	2.8689	2.9573	2.9579	4.3236	4.9721	4.9727	1.0932	1.8626		2.1444	4.4821	5.5364	3.5116	3.9590
C10	1.5410	2.1900	2.1899	2.4752	3.2469	3.2474	1.3556	2.1383	2.1444		2.3415	3.3925	1.4701	2.2579
C11	2.4310	3.1968	3.1963	1.5204	2.1823	2.1823	3.6399	4.1110	4.4821	2.3415		1.0928	1.3575	2.1808
H12	3.4852	4.2027	4.2021	2.3033	2.6949	2.6948	4.6409	4.9818	5.5364	3.3925	1.0928		2.1777	2.6187
C13	2.4197	3.1777	3.1772	2.3894	3.1470	3.1473	2.5233	2.8078	3.5116	1.4701	1.3575	2.1777		1.0927
H14	3.4685	4.1729	4.1723	3.4433	4.1442	4.1446	2.8735	2.7249	3.9590	2.2579	2.1808	2.6187	1.0927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	112.210	C1	C4	H6	112.213
C1	C4	C11	103.754	C1	C10	C7	126.622
C1	C10	C13	106.925	H2	C1	H3	106.798
H2	C1	C4	111.551	H2	C1	C10	110.791
H3	C1	C4	111.544	H3	C1	C10	110.784
C4	C1	C10	105.448	C4	C11	H12	122.788
C4	C11	C13	112.128	H5	C4	H6	105.957
H5	C4	C11	111.425	H6	C4	C11	111.431
C7	C10	C13	126.453	H8	C7	H9	116.832
H8	C7	C10	121.284	H9	C7	C10	121.883
C10	C13	C11	111.745	C10	C13	H14	122.851
C11	C13	H14	125.403	H12	C11	C13	125.084

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

using model chemistry: BLYP/6-31+G**

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	-0.689
2	H	0.159
3	H	0.159
4	C	-0.411
5	H	0.151
6	H	0.151
7	C	-0.170
8	H	0.120
9	H	0.120
10	C	0.401
11	C	-0.015
12	H	0.114
13	C	-0.196
14	H	0.106

	x	y	z	Total
	0.863	-0.298	0.000	0.913
CHELPG
AIM
ESP

<r²>	156.541
(<r²>)^1/2	12.512

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

using model chemistry: BLYP/6-31+G**

States and conformations

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