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	hartrees
Energy at 0K	-234.660660
Energy at 298.15K	-234.671759
Nuclear repulsion energy	234.570494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3091	30.19
2	A	3177	3066	7.89
3	A	3093	2985	26.58
4	A	3091	2983	49.79
5	A	3053	2946	37.64
6	A	3047	2940	37.06
7	A	3024	2919	35.95
8	A	3019	2913	7.00
9	A	2990	2886	23.79
10	A	2990	2886	44.20
11	A	1688	1629	2.98
12	A	1502	1449	5.18
13	A	1498	1446	1.58
14	A	1493	1441	0.16
15	A	1487	1434	0.55
16	A	1412	1362	1.16
17	A	1375	1327	0.13
18	A	1373	1325	4.42
19	A	1333	1286	1.98
20	A	1311	1265	0.41
21	A	1295	1249	3.59
22	A	1237	1194	0.39
23	A	1167	1126	0.05
24	A	1147	1107	2.11
25	A	1134	1094	0.24
26	A	1109	1070	1.35
27	A	1068	1030	1.82
28	A	992	957	6.95
29	A	979	945	0.33
30	A	976	942	0.01
31	A	935	902	4.34
32	A	924	892	3.84
33	A	906	874	0.55
34	A	819	790	0.79
35	A	776	749	0.35
36	A	712	687	25.62
37	A	577	556	2.77
38	A	422	407	0.73
39	A	395	382	0.06
40	A	314	303	0.08
41	A	252	243	0.01
42	A	99	96	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	2.435	1.293	-0.158
C2	1.554	0.666	-0.073
H3	2.435	-1.292	-0.158
C4	1.554	-0.666	-0.073
H5	-0.151	1.642	-0.968
H6	0.059	2.052	0.725
C7	0.156	1.231	0.006
H8	0.059	-2.052	0.725
H9	-0.151	-1.642	-0.968
C10	0.156	-1.231	0.006
H11	-0.796	-0.000	1.491
C12	-0.710	-0.000	0.397
H13	-2.684	0.884	0.113
H14	-2.684	-0.884	0.113
H15	-2.077	-0.000	-1.295
C16	-2.117	-0.000	-0.199

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0848	2.5850	2.1494	2.7324	2.6462	2.2864	4.1965	3.9946	3.4044	3.8506	3.4455	5.1421	5.5688	4.8292	4.7319
C2	1.0848		2.1494	1.3320	2.1590	2.1889	1.5099	3.2027	3.0060	2.3576	2.8994	2.4061	4.2469	4.5157	3.8883	3.7325
H3	2.5850	2.1494		1.0848	3.9946	4.1965	3.4044	2.6461	2.7324	2.2863	3.8505	3.4455	5.5688	5.1421	4.8292	4.7320
C4	2.1494	1.3320	1.0848		3.0061	3.2028	2.3576	2.1888	2.1590	1.5099	2.8994	2.4061	4.5157	4.2470	3.8883	3.7325
H5	2.7324	2.1590	3.9946	3.0061		1.7553	1.1010	4.0695	3.2846	3.0489	3.0264	2.2076	2.8561	3.7369	2.5521	2.6745
H6	2.6462	2.1889	4.1965	3.2028	1.7553		1.0964	4.1039	4.0695	3.3620	2.3509	2.2160	3.0436	4.0644	3.5855	3.1306
C7	2.2864	1.5099	3.4044	2.3576	1.1010	1.0964		3.3619	3.0490	2.4612	2.1503	1.5546	2.8621	3.5417	2.8617	2.5921
H8	4.1965	3.2027	2.6461	2.1888	4.0695	4.1039	3.3619		1.7553	1.0964	2.3509	2.2160	4.0644	3.0436	3.5855	3.1306
H9	3.9946	3.0060	2.7324	2.1590	3.2846	4.0695	3.0490	1.7553		1.1010	3.0264	2.2077	3.7370	2.8562	2.5521	2.6745
C10	3.4044	2.3576	2.2863	1.5099	3.0489	3.3620	2.4612	1.0964	1.1010		2.1503	1.5546	3.5417	2.8622	2.8617	2.5922
H11	3.8506	2.8994	3.8505	2.8994	3.0264	2.3509	2.1503	2.3509	3.0264	2.1503		1.0970	2.4990	2.4990	3.0660	2.1449
C12	3.4455	2.4061	3.4455	2.4061	2.2076	2.2160	1.5546	2.2160	2.2077	1.5546	1.0970		2.1810	2.1810	2.1749	1.5277
H13	5.1421	4.2469	5.5688	4.5157	2.8561	3.0436	2.8621	4.0644	3.7370	3.5417	2.4990	2.1810		1.7681	1.7692	1.0955
H14	5.5688	4.5157	5.1421	4.2470	3.7369	4.0644	3.5417	3.0436	2.8562	2.8622	2.4990	2.1810	1.7681		1.7692	1.0955
H15	4.8292	3.8883	4.8292	3.8883	2.5521	3.5855	2.8617	3.5855	2.5521	2.8617	3.0660	2.1749	1.7692	1.7692		1.0964
C16	4.7319	3.7325	4.7320	3.7325	2.6745	3.1306	2.5921	3.1306	2.6745	2.5922	2.1449	1.5277	1.0955	1.0955	1.0964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.277	H1	C2	C7	122.722
C2	C4	H3	125.277	C2	C4	C10	111.958
C2	C7	H5	110.587	C2	C7	H6	113.292
C2	C7	C12	103.456	H3	C4	C10	122.722
C4	C2	C7	111.957	C4	C10	H8	113.288
C4	C10	H9	110.590	C4	C10	C12	103.455
H5	C7	H6	106.041	H5	C7	C12	111.324
H6	C7	C12	112.271	C7	C12	C10	104.669
C7	C12	H11	107.113	C7	C12	C16	114.487
H8	C10	H9	106.041	H8	C10	C12	112.270
H9	C10	C12	111.326	C10	C12	H11	107.113
C10	C12	C16	114.487	H11	C12	C16	108.499
C12	C16	H13	111.434	C12	C16	H14	111.434
C12	C16	H15	110.888	H13	C16	H14	107.607
H13	C16	H15	107.646	H14	C16	H15	107.646

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)

using model chemistry: B3LYP/6-31G(2df,p)

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	0.087
2	C	-0.059
3	H	0.087
4	C	-0.059
5	H	0.099
6	H	0.098
7	C	-0.256
8	H	0.098
9	H	0.099
10	C	-0.256
11	H	0.075
12	C	0.057
13	H	0.111
14	H	0.111
15	H	0.112
16	C	-0.402

	x	y	z	Total
	-0.144	0.000	0.040	0.149
CHELPG
AIM
ESP

	x	y	z
x	9.923	-0.001	-0.070
y	-0.001	10.270	0.001
z	-0.070	0.001	7.007

<r²>	164.442
(<r²>)^1/2	12.823

All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)