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	hartrees
Energy at 0K	-234.697197
Energy at 298.15K	-234.708092
Nuclear repulsion energy	233.077765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3165	3058	25.51
2	A	3097	2992	30.87
3	A	3090	2986	57.08
4	A	3055	2952	73.81
5	A	3049	2946	30.68
6	A	3039	2937	47.12
7	A	3031	2929	10.93
8	A	3011	2910	48.14
9	A	2995	2894	61.46
10	A	2992	2891	44.06
11	A	1720	1662	2.60
12	A	1525	1473	1.71
13	A	1509	1458	8.63
14	A	1505	1454	0.85
15	A	1499	1449	0.47
16	A	1498	1447	10.42
17	A	1429	1381	1.99
18	A	1368	1321	1.92
19	A	1336	1291	1.16
20	A	1331	1286	2.61
21	A	1295	1251	1.27
22	A	1255	1213	1.39
23	A	1243	1201	1.23
24	A	1177	1138	1.65
25	A	1167	1127	0.59
26	A	1097	1060	0.71
27	A	1041	1006	2.99
28	A	1033	998	5.86
29	A	1029	994	3.64
30	A	941	909	2.23
31	A	918	887	0.46
32	A	904	874	1.06
33	A	877	847	0.24
34	A	833	805	6.05
35	A	804	777	10.20
36	A	661	638	1.55
37	A	581	561	0.06
38	A	443	428	3.96
39	A	320	309	0.58
40	A	241	233	2.48
41	A	179	173	0.57
42	A	133	129	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.758	0.074	-0.002
H2	0.343	2.178	-0.069
C3	-0.024	1.156	-0.023
H4	2.614	-0.552	-0.895
H5	2.659	-0.455	0.857
H6	2.689	1.030	-0.105
C7	2.253	0.030	-0.039
H8	0.251	-1.977	-0.566
H9	0.033	-1.611	1.134
C10	-0.072	-1.190	0.124
H11	-2.262	-1.225	0.457
H12	-1.769	-0.910	-1.201
C13	-1.517	-0.711	-0.155
H14	-2.112	1.365	-0.635
H15	-1.879	1.083	1.080
C16	-1.492	0.820	0.085

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1454	1.3349	2.1528	2.1522	2.1571	1.4969	2.1869	2.1581	1.5173	3.3188	2.9648	2.4114	3.2096	3.0233	2.3719
H2	2.1454		1.0865	3.6459	3.6270	2.6119	2.8747	4.1857	3.9878	3.3987	4.3174	3.9082	3.4370	2.6466	2.7301	2.2877
C3	1.3349	1.0865		3.2612	3.2505	2.7166	2.5403	3.1919	3.0001	2.3511	3.3028	2.9498	2.3946	2.1859	2.1592	1.5101
H4	2.1528	3.6459	3.2612		1.7555	1.7703	1.0964	2.7786	3.4499	2.9428	5.1039	4.4082	4.1996	5.1062	5.1728	4.4387
H5	2.1522	3.6270	3.2505	1.7555		1.7699	1.0967	3.1841	2.8823	2.9212	4.9959	4.9039	4.3043	5.3195	4.7965	4.4104
H6	2.1571	2.6119	2.7166	1.7703	1.7699		1.0924	3.8986	3.9453	3.5501	5.4686	4.9837	4.5523	4.8411	4.7189	4.1903
C7	1.4969	2.8747	2.5403	1.0964	1.0967	1.0924		2.8840	3.0004	2.6313	4.7124	4.2914	3.8445	4.6035	4.4087	3.8299
H8	2.1869	4.1857	3.1919	2.7786	3.1841	3.8986	2.8840		1.7534	1.0961	2.8154	2.3716	2.2133	4.0940	4.0759	3.3599
H9	2.1581	3.9878	3.0001	3.4499	2.8823	3.9453	3.0004	1.7534		1.0995	2.4231	3.0321	2.2081	4.0733	3.3044	3.0560
C10	1.5173	3.3987	2.3511	2.9428	2.9212	3.5501	2.6313	1.0961	1.0995		2.2148	2.1714	1.5477	3.3565	3.0568	2.4614
H11	3.3188	4.3174	3.3028	5.1039	4.9959	5.4686	4.7124	2.8154	2.4231	2.2148		1.7582	1.0924	2.8157	2.4213	2.2169
H12	2.9648	3.9082	2.9498	4.4082	4.9039	4.9837	4.2914	2.3716	3.0321	2.1714	1.7582		1.0938	2.3692	3.0304	2.1731
C13	2.4114	3.4370	2.3946	4.1996	4.3043	4.5523	3.8445	2.2133	2.2081	1.5477	1.0924	1.0938		2.2128	2.2080	1.5503
H14	3.2096	2.6466	2.1859	5.1062	5.3195	4.8411	4.6035	4.0940	4.0733	3.3565	2.8157	2.3692	2.2128		1.7533	1.0954
H15	3.0233	2.7301	2.1592	5.1728	4.7965	4.7189	4.4087	4.0759	3.3044	3.0568	2.4213	3.0304	2.2080	1.7533		1.0990
C16	2.3719	2.2877	1.5101	4.4387	4.4104	4.1903	3.8299	3.3599	3.0560	2.4614	2.2169	2.1731	1.5503	1.0954	1.0990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.436	C1	C3	C16	112.820
C1	C7	H4	111.290	C1	C7	H5	111.222
C1	C7	H6	111.890	C1	C10	H8	112.615
C1	C10	H9	110.093	C1	C10	C13	103.763
H2	C3	C16	122.696	C3	C1	C7	127.466
C3	C1	C10	110.877	C3	C16	C13	102.963
C3	C16	H14	113.098	C3	C16	H15	110.711
H4	C7	H5	106.345	H4	C7	H6	107.955
H5	C7	H6	107.894	C7	C1	C10	121.616
H8	C10	H9	105.990	H8	C10	C13	112.566
H9	C10	C13	111.941	C10	C13	H11	112.914
C10	C13	H12	109.378	C10	C13	C16	105.219
H11	C13	H12	107.069	H11	C13	C16	112.890
H12	C13	C16	109.329	C13	C16	H14	112.378
C13	C16	H15	111.770	H14	C16	H15	106.065

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	C	0.105	0.230
2	H	0.176	0.149
3	C	-0.199	-0.362
4	H	0.214	0.167
5	H	0.212	0.160
6	H	0.214	0.174
7	C	-0.675	-0.628
8	H	0.205	0.000
9	H	0.204	0.014
10	C	-0.446	0.068
11	H	0.205	0.052
12	H	0.209	0.066
13	C	-0.415	-0.216
14	H	0.205	0.013
15	H	0.204	0.019
16	C	-0.418	0.093

	x	y	z	Total
	0.134	-0.169	0.054	0.223
CHELPG
AIM
ESP	0.141	-0.192	0.065	0.247

	x	y	z
x	11.285	-0.896	-0.070
y	-0.896	10.320	-0.096
z	-0.070	-0.096	7.338

<r²>	171.163
(<r²>)^1/2	13.083

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

using model chemistry: B3LYP/6-311G*

States and conformations

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