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	hartrees
Energy at 0K	-234.313750
Energy at 298.15K	-234.324491
Nuclear repulsion energy	232.112898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3122	3070	21.81
2	A	3062	3011	21.42
3	A	3050	3000	38.49
4	A	3010	2960	24.25
5	A	3007	2958	56.31
6	A	2994	2945	32.68
7	A	2986	2937	10.30
8	A	2961	2912	42.52
9	A	2941	2893	53.30
10	A	2940	2891	38.40
11	A	1686	1658	2.04
12	A	1486	1461	0.76
13	A	1472	1448	6.38
14	A	1466	1442	0.66
15	A	1461	1437	0.15
16	A	1460	1436	8.79
17	A	1391	1368	1.12
18	A	1334	1312	1.16
19	A	1301	1279	0.55
20	A	1295	1273	2.36
21	A	1252	1232	1.77
22	A	1224	1204	1.85
23	A	1203	1183	1.11
24	A	1152	1133	0.73
25	A	1126	1108	1.34
26	A	1066	1048	0.16
27	A	1029	1012	2.33
28	A	1008	992	6.64
29	A	998	981	5.61
30	A	930	914	1.23
31	A	906	891	0.54
32	A	885	870	0.33
33	A	860	846	0.39
34	A	815	801	2.25
35	A	782	769	10.01
36	A	637	627	2.01
37	A	565	556	0.22
38	A	429	422	2.90
39	A	311	306	0.57
40	A	236	232	2.01
41	A	180	177	0.74
42	A	139	136	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	0.072	-0.003
H2	-0.334	2.194	-0.073
C3	0.033	1.162	-0.025
H4	-2.672	-0.447	0.867
H5	-2.626	-0.561	-0.899
H6	-2.694	1.045	-0.116
C7	-2.259	0.035	-0.041
H8	-0.027	-1.603	1.159
H9	-0.262	-1.998	-0.550
C10	0.070	-1.192	0.132
H11	1.745	-0.900	-1.230
H12	2.276	-1.244	0.430
C13	1.514	-0.715	-0.166
H14	1.882	1.067	1.103
H15	2.137	1.371	-0.622
C16	1.499	0.817	0.091

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1656	1.3489	2.1622	2.1631	2.1667	1.4989	2.1673	2.1990	1.5196	2.9551	3.3389	2.4136	3.0330	3.2361	2.3818
H2	2.1656		1.0959	3.6501	3.6776	2.6255	2.8935	4.0041	4.2199	3.4167	3.9031	4.3462	3.4477	2.7496	2.6620	2.2986
C3	1.3489	1.0959		3.2711	3.2864	2.7310	2.5547	3.0093	3.2173	2.3604	2.9388	3.3216	2.3956	2.1680	2.1975	1.5110
H4	2.1622	3.6501	3.2711		1.7703	1.7869	1.1072	2.9008	3.1971	2.9348	4.9100	5.0308	4.3199	4.8045	5.3524	4.4265
H5	2.1631	3.6776	3.2864	1.7703		1.7881	1.1069	3.4746	2.7884	2.9545	4.3960	5.1244	4.2071	5.1937	5.1472	4.4600
H6	2.1667	2.6255	2.7310	1.7869	1.7881		1.1026	3.9689	3.9200	3.5651	4.9729	5.4995	4.5620	4.7356	4.8689	4.2046
C7	1.4989	2.8935	2.5547	1.1072	1.1069	1.1026		3.0174	2.8951	2.6386	4.2804	4.7359	3.8495	4.4186	4.6319	3.8413
H8	2.1673	4.0041	3.0093	2.9008	3.4746	3.9689	3.0174		1.7695	1.1103	3.0566	2.4429	2.2188	3.2836	4.0872	3.0542
H9	2.1990	4.2199	3.2173	3.1971	2.7884	3.9200	2.8951	1.7695		1.1067	2.3863	2.8228	2.2246	4.0894	4.1365	3.3816
C10	1.5196	3.4167	2.3604	2.9348	2.9545	3.5651	2.6386	1.1103	1.1067		2.1784	2.2266	1.5501	3.0546	3.3782	2.4658
H11	2.9551	3.9031	2.9388	4.9100	4.3960	4.9729	4.2804	3.0566	2.3863	2.1784		1.7762	1.1042	3.0545	2.3834	2.1802
H12	3.3389	4.3462	3.3216	5.0308	5.1244	5.4995	4.7359	2.4429	2.8228	2.2266	1.7762		1.1026	2.4400	2.8224	2.2288
C13	2.4136	3.4477	2.3956	4.3199	4.2071	4.5620	3.8495	2.2188	2.2246	1.5501	1.1042	1.1026		2.2183	2.2240	1.5531
H14	3.0330	2.7496	2.1680	4.8045	5.1937	4.7356	4.4186	3.2836	4.0894	3.0546	3.0545	2.4400	2.2183		1.7697	1.1101
H15	3.2361	2.6620	2.1975	5.3524	5.1472	4.8689	4.6319	4.0872	4.1365	3.3782	2.3834	2.8224	2.2240	1.7697		1.1059
C16	2.3818	2.2986	1.5110	4.4265	4.4600	4.2046	3.8413	3.0542	3.3816	2.4658	2.1802	2.2288	1.5531	1.1101	1.1059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.369	C1	C3	C16	112.659
C1	C7	H4	111.239	C1	C7	H5	111.330
C1	C7	H6	111.885	C1	C10	H8	110.015
C1	C10	H9	112.767	C1	C10	C13	103.668
H2	C3	C16	122.909	C3	C1	C7	127.467
C3	C1	C10	110.601	C3	C16	C13	102.848
C3	C16	H14	110.680	C3	C16	H15	113.315
H4	C7	H5	106.173	H4	C7	H6	107.918
H5	C7	H6	108.045	C7	C1	C10	121.883
H8	C10	H9	105.910	H8	C10	C13	111.960
H9	C10	C13	112.650	C10	C13	H11	109.160
C10	C13	H12	113.058	C10	C13	C16	105.235
H11	C13	H12	107.198	H11	C13	C16	109.093
H12	C13	C16	113.025	C13	C16	H14	111.721
C13	C16	H15	112.430	H14	C16	H15	105.995

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: PBEPBEultrafine/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	0.184
2	H	0.121
3	C	-0.156
4	H	0.167
5	H	0.167
6	H	0.167
7	C	-0.565
8	H	0.154
9	H	0.149
10	C	-0.354
11	H	0.158
12	H	0.147
13	C	-0.309
14	H	0.155
15	H	0.151
16	C	-0.335

	x	y	z	Total
	-0.152	-0.189	0.058	0.249
CHELPG
AIM
ESP

	x	y	z
x	10.958	0.870	0.097
y	0.870	9.886	-0.111
z	0.097	-0.111	6.906

<r²>	171.590
(<r²>)^1/2	13.099

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)