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	hartrees
Energy at 0K	-233.339887
Energy at 298.15K	-233.350681
Nuclear repulsion energy	234.429460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3125	3078	13.59
2	A	3069	3023	15.44
3	A	3054	3008	28.24
4	A	3018	2973	9.12
5	A	3011	2966	36.09
6	A	3002	2957	34.25
7	A	2988	2944	10.47
8	A	2958	2914	36.40
9	A	2936	2892	47.63
10	A	2931	2887	33.85
11	A	1701	1675	4.26
12	A	1435	1414	4.67
13	A	1418	1397	14.66
14	A	1413	1392	4.62
15	A	1408	1387	1.31
16	A	1405	1384	14.71
17	A	1359	1338	11.88
18	A	1320	1300	0.37
19	A	1286	1266	3.03
20	A	1278	1259	1.00
21	A	1224	1205	2.19
22	A	1217	1198	0.83
23	A	1180	1162	1.74
24	A	1150	1133	0.27
25	A	1103	1087	2.81
26	A	1041	1025	0.62
27	A	1031	1016	3.10
28	A	989	974	11.32
29	A	973	958	8.08
30	A	931	917	1.61
31	A	919	905	1.10
32	A	886	873	0.17
33	A	860	847	0.44
34	A	813	801	1.09
35	A	778	766	17.38
36	A	630	620	1.90
37	A	565	557	0.23
38	A	434	428	5.47
39	A	307	303	0.62
40	A	245	242	3.33
41	A	181	178	1.27
42	A	163	161	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.753	0.074	-0.005
H2	-0.323	2.188	-0.084
C3	0.043	1.155	-0.031
H4	-2.641	-0.439	0.866
H5	-2.594	-0.570	-0.896
H6	-2.667	1.044	-0.131
C7	-2.230	0.036	-0.045
H8	-0.009	-1.540	1.196
H9	-0.284	-2.003	-0.490
C10	0.068	-1.172	0.150
H11	1.656	-0.858	-1.272
H12	2.271	-1.264	0.346
C13	1.484	-0.709	-0.191
H14	1.844	1.008	1.135
H15	2.153	1.361	-0.571
C16	1.487	0.794	0.105

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1579	1.3426	2.1423	2.1442	2.1496	1.4783	2.1452	2.1841	1.5006	2.8769	3.3257	2.3772	2.9855	3.2279	2.3550
H2	2.1579		1.0965	3.6301	3.6634	2.6083	2.8754	3.9534	4.2105	3.3904	3.8213	4.3392	3.4156	2.7517	2.6553	2.2921
C3	1.3426	1.0965		3.2485	3.2678	2.7142	2.5339	2.9615	3.2085	2.3346	2.8628	3.3107	2.3616	2.1500	2.1876	1.4945
H4	2.1423	3.6301	3.2485		1.7678	1.7875	1.1069	2.8718	3.1366	2.8966	4.8181	5.0085	4.2669	4.7203	5.3189	4.3752
H5	2.1442	3.6634	3.2678	1.7678		1.7885	1.1064	3.4637	2.7479	2.9226	4.2759	5.0687	4.1404	5.1288	5.1348	4.4173
H6	2.1496	2.6083	2.7142	1.7875	1.7885		1.1023	3.9371	3.8850	3.5316	4.8590	5.4720	4.5064	4.6849	4.8504	4.1681
C7	1.4783	2.8754	2.5339	1.1069	1.1064	1.1023		2.9926	2.8533	2.6038	4.1721	4.7018	3.7908	4.3511	4.6091	3.7965
H8	2.1452	3.9534	2.9615	2.8718	3.4637	3.9371	2.9926		1.7701	1.1116	3.0547	2.4495	2.2007	3.1505	4.0263	2.9791
H9	2.1841	4.2105	3.2085	3.1366	2.7479	3.8850	2.8533	1.7701		1.1065	2.3853	2.7887	2.2117	4.0291	4.1552	3.3637
C10	1.5006	3.3904	2.3346	2.8966	2.9226	3.5316	2.6038	1.1116	1.1065		2.1547	2.2138	1.5281	2.9789	3.3590	2.4249
H11	2.8769	3.8213	2.8628	4.8181	4.2759	4.8590	4.1721	3.0547	2.3853	2.1547		1.7781	1.1051	3.0511	2.3796	2.1570
H12	3.3257	4.3392	3.3107	5.0085	5.0687	5.4720	4.7018	2.4495	2.7887	2.2138	1.7781		1.1028	2.4426	2.7830	2.2156
C13	2.3772	3.4156	2.3616	4.2669	4.1404	4.5064	3.7908	2.2007	2.2117	1.5281	1.1051	1.1028		2.1986	2.2084	1.5316
H14	2.9855	2.7517	2.1500	4.7203	5.1288	4.6849	4.3511	3.1505	4.0291	2.9789	3.0511	2.4426	2.1986		1.7691	1.1110
H15	3.2279	2.6553	2.1876	5.3189	5.1348	4.8504	4.6091	4.0263	4.1552	3.3590	2.3796	2.7830	2.2084	1.7691		1.1052
C16	2.3550	2.2921	1.4945	4.3752	4.4173	4.1681	3.7965	2.9791	3.3637	2.4249	2.1570	2.2156	1.5316	1.1110	1.1052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.120	C1	C3	C16	112.103
C1	C7	H4	111.113	C1	C7	H5	111.293
C1	C7	H6	111.987	C1	C10	H8	109.512
C1	C10	H9	112.936	C1	C10	C13	103.418
H2	C3	C16	123.683	C3	C1	C7	127.791
C3	C1	C10	110.268	C3	C16	C13	102.589
C3	C16	H14	110.345	C3	C16	H15	113.754
H4	C7	H5	106.022	H4	C7	H6	108.028
H5	C7	H6	108.143	C7	C1	C10	121.866
H8	C10	H9	105.883	H8	C10	C13	111.997
H9	C10	C13	113.202	C10	C13	H11	108.764
C10	C13	H12	113.613	C10	C13	C16	104.843
H11	C13	H12	107.287	H11	C13	C16	108.699
H12	C13	C16	113.493	C13	C16	H14	111.612
C13	C16	H15	112.755	H14	C16	H15	105.924

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

using model chemistry: LSDA/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	0.321
2	H	0.143
3	C	-0.217
4	H	0.192
5	H	0.194
6	H	0.188
7	C	-0.528
8	H	0.189
9	H	0.180
10	C	-0.546
11	H	0.193
12	H	0.175
13	C	-0.377
14	H	0.189
15	H	0.179
16	C	-0.475

	x	y	z	Total
	-0.148	-0.253	0.117	0.315
CHELPG
AIM
ESP

	x	y	z
x	12.288	0.927	0.079
y	0.927	11.224	-0.140
z	0.079	-0.140	8.424

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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