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	hartrees
Energy at 0K	-234.584699
Energy at 298.15K	-234.595627
Nuclear repulsion energy	233.206350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3110	3101	29.04
2	A	3085	3076	10.46
3	A	3010	3001	62.48
4	A	3005	2996	11.80
5	A	3004	2995	41.38
6	A	2971	2962	49.98
7	A	2955	2947	30.65
8	A	2948	2940	25.43
9	A	2921	2912	43.40
10	A	2886	2878	32.95
11	A	1615	1610	1.97
12	A	1468	1464	4.49
13	A	1464	1460	4.00
14	A	1464	1460	1.71
15	A	1451	1447	0.88
16	A	1379	1374	1.54
17	A	1342	1338	3.53
18	A	1305	1301	3.20
19	A	1285	1281	0.55
20	A	1275	1271	3.04
21	A	1268	1265	0.25
22	A	1194	1190	0.90
23	A	1162	1159	0.66
24	A	1112	1108	0.55
25	A	1087	1084	3.38
26	A	1073	1070	5.79
27	A	1030	1027	0.91
28	A	964	961	0.71
29	A	946	943	0.99
30	A	933	931	1.86
31	A	913	910	0.81
32	A	873	870	3.59
33	A	824	822	1.46
34	A	795	793	1.51
35	A	740	738	0.27
36	A	716	714	31.52
37	A	576	575	4.89
38	A	484	483	1.95
39	A	333	332	0.03
40	A	281	280	0.10
41	A	230	230	0.02
42	A	105	104	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-0.292	2.225	0.127
C2	0.103	1.210	0.104
H3	2.168	1.596	-0.384
C4	1.374	0.886	-0.160
H5	2.190	-0.844	0.855
H6	2.196	-1.009	-0.897
C7	1.615	-0.608	-0.055
H8	0.086	-2.048	0.686
H9	-0.127	-1.538	-0.992
C10	0.170	-1.191	0.007
H11	-0.927	-0.033	1.517
C12	-0.758	-0.003	0.426
H13	-2.747	0.846	0.059
H14	-2.697	-0.924	-0.009
H15	-2.034	0.034	-1.350
C16	-2.139	-0.012	-0.257

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0890	2.5894	2.1565	4.0139	4.2068	3.4201	4.3257	3.9292	3.4497	2.7270	2.2957	2.8168	3.9649	3.1647	2.9261
C2	1.0890		2.1566	1.3383	3.0237	3.2108	2.3705	3.3097	2.9675	2.4048	2.1457	1.5218	2.8733	3.5222	2.8393	2.5785
H3	2.5894	2.1566		1.0884	2.7369	2.6558	2.2968	4.3311	3.9319	3.4522	3.9805	3.4309	4.9914	5.4916	4.5858	4.5989
C4	2.1565	1.3383	1.0884		2.1654	2.1934	1.5174	3.3140	2.9702	2.4072	2.9918	2.3828	4.1272	4.4579	3.7091	3.6273
H5	4.0139	3.0237	2.7369	2.1654		1.7598	1.1024	2.4303	3.0433	2.2185	3.2882	3.0955	5.2789	4.9634	4.8451	4.5467
H6	4.2068	3.2108	2.6558	2.1934	1.7598		1.0987	2.8353	2.3842	2.2264	4.0660	3.3893	5.3656	4.9735	4.3801	4.4940
C7	3.4201	2.3705	2.2968	1.5174	1.1024	1.0987		2.2269	2.1851	1.5594	3.0434	2.4953	4.5993	4.3233	3.9244	3.8062
H8	4.3257	3.3097	4.3311	3.3140	2.4303	2.8353	2.2269		1.7667	1.0958	2.4027	2.2271	4.0976	3.0801	3.6014	3.1598
H9	3.9292	2.9675	3.9319	2.9702	3.0433	2.3842	2.1851	1.7667		1.0985	3.0331	2.1829	3.6951	2.8192	2.4971	2.6301
C10	3.4497	2.4048	3.4522	2.4072	2.2185	2.2264	1.5594	1.0958	1.0985		2.1963	1.5648	3.5584	2.8791	2.8635	2.6063
H11	2.7270	2.1457	3.9805	2.9918	3.2882	4.0660	3.0434	2.4027	3.0331	2.1963		1.1045	2.4925	2.5010	3.0739	2.1492
C12	2.2957	1.5218	3.4309	2.3828	3.0955	3.3893	2.4953	2.2271	2.1829	1.5648	1.1045		2.1938	2.1905	2.1871	1.5412
H13	2.8168	2.8733	4.9914	4.1272	5.2789	5.3656	4.5993	4.0976	3.6951	3.5584	2.4925	2.1938		1.7723	1.7756	1.0980
H14	3.9649	3.5222	5.4916	4.4579	4.9634	4.9735	4.3233	3.0801	2.8192	2.8791	2.5010	2.1905	1.7723		1.7763	1.0981
H15	3.1647	2.8393	4.5858	3.7091	4.8451	4.3801	3.9244	3.6014	2.4971	2.8635	3.0739	2.1871	1.7756	1.7763		1.0982
C16	2.9261	2.5785	4.5989	3.6273	4.5467	4.4940	3.8062	3.1598	2.6301	2.6063	2.1492	1.5412	1.0980	1.0981	1.0982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.037	H1	C2	C12	122.247
C2	C4	H3	125.103	C2	C4	C7	112.070
C2	C12	C10	102.348	C2	C12	H11	108.526
C2	C12	C16	114.665	H3	C4	C7	122.781
C4	C2	C12	112.682	C4	C7	H5	110.494
C4	C7	H6	112.975	C4	C7	C10	102.952
H5	C7	H6	106.168	H5	C7	C10	111.761
H6	C7	C10	112.621	C7	C10	H8	112.838
C7	C10	H9	109.372	C7	C10	C12	106.013
H8	C10	H9	107.248	H8	C10	C12	112.465
H9	C10	C12	108.841	C10	C12	H11	109.525
C10	C12	C16	114.091	H11	C12	C16	107.499
C12	C16	H13	111.347	C12	C16	H14	111.075
C12	C16	H15	110.801	H13	C16	H14	107.611
H13	C16	H15	107.897	H14	C16	H15	107.958

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: BLYP/cc-pVTZ

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	H	0.083
2	C	-0.125
3	H	0.091
4	C	-0.119
5	H	0.074
6	H	0.075
7	C	-0.130
8	H	0.073
9	H	0.068
10	C	-0.142
11	H	0.069
12	C	0.016
13	H	0.082
14	H	0.084
15	H	0.080
16	C	-0.279

	x	y	z	Total
	0.004	-0.175	0.156	0.234
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	167.332
(<r²>)^1/2	12.936

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)