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	hartrees
Energy at 0K	-234.664576
Energy at 298.15K	-234.675646
Nuclear repulsion energy	234.024175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3090	26.63
2	A	3179	3065	9.22
3	A	3100	2989	65.27
4	A	3096	2985	30.45
5	A	3095	2984	20.64
6	A	3061	2952	43.18
7	A	3039	2930	32.24
8	A	3028	2919	32.97
9	A	3008	2900	47.13
10	A	2975	2868	32.67
11	A	1678	1618	3.25
12	A	1507	1453	4.02
13	A	1502	1449	5.27
14	A	1501	1448	4.65
15	A	1487	1434	1.55
16	A	1415	1364	2.77
17	A	1389	1339	5.72
18	A	1341	1293	1.28
19	A	1329	1281	0.69
20	A	1314	1267	3.56
21	A	1301	1255	1.18
22	A	1228	1184	0.99
23	A	1200	1157	0.57
24	A	1143	1102	0.82
25	A	1118	1078	4.11
26	A	1105	1066	6.05
27	A	1068	1030	1.74
28	A	997	961	1.68
29	A	976	941	0.47
30	A	962	928	1.90
31	A	945	911	0.84
32	A	907	875	3.73
33	A	854	824	1.76
34	A	823	794	1.54
35	A	756	729	1.30
36	A	737	711	41.12
37	A	585	564	5.56
38	A	497	479	2.65
39	A	342	330	0.04
40	A	287	277	0.10
41	A	239	230	0.04
42	A	117	113	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-0.292	2.220	0.107
C2	0.102	1.207	0.094
H3	2.169	1.587	-0.383
C4	1.375	0.880	-0.159
H5	2.156	-0.839	0.887
H6	2.208	-1.019	-0.861
C7	1.608	-0.610	-0.039
H8	0.065	-2.056	0.640
H9	-0.118	-1.494	-1.024
C10	0.166	-1.182	-0.011
H11	-0.906	-0.037	1.513
C12	-0.752	-0.003	0.422
H13	-2.740	0.842	0.082
H14	-2.686	-0.925	0.006
H15	-2.040	0.040	-1.335
C16	-2.134	-0.011	-0.244

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0872	2.5877	2.1551	3.9951	4.2048	3.4122	4.3241	3.8866	3.4346	2.7292	2.2924	2.8087	3.9539	3.1447	2.9147
C2	1.0872		2.1549	1.3381	3.0057	3.2097	2.3639	3.3086	2.9315	2.3918	2.1397	1.5172	2.8649	3.5110	2.8272	2.5688
H3	2.5877	2.1549		1.0865	2.7388	2.6502	2.2941	4.3299	3.8907	3.4376	3.9608	3.4218	4.9864	5.4804	4.5848	4.5926
C4	2.1551	1.3381	1.0865		2.1591	2.1896	1.5135	3.3131	2.9350	2.3947	2.9734	2.3752	4.1216	4.4472	3.7083	3.6214
H5	3.9951	3.0057	2.7388	2.1591		1.7586	1.1005	2.4320	3.0416	2.2097	3.2267	3.0610	5.2382	4.9224	4.8289	4.5132
H6	4.2048	3.2097	2.6502	2.1896	1.7586		1.0968	2.8149	2.3798	2.2179	4.0378	3.3823	5.3699	4.9716	4.4040	4.5003
C7	3.4122	2.3639	2.2941	1.5135	1.1005	1.0968		2.2210	2.1747	1.5510	3.0101	2.4799	4.5854	4.3059	3.9257	3.7953
H8	4.3241	3.3086	4.3299	3.3131	2.4320	2.8149	2.2210		1.7654	1.0947	2.4051	2.2198	4.0713	3.0413	3.5670	3.1300
H9	3.8866	2.9315	3.8907	2.9350	3.0416	2.3798	2.1747	1.7654		1.0974	3.0305	2.1713	3.6819	2.8250	2.4790	2.6216
C10	3.4346	2.3918	3.4376	2.3947	2.2097	2.2179	1.5510	1.0947	1.0974		2.1876	1.5553	3.5425	2.8641	2.8485	2.5916
H11	2.7292	2.1397	3.9608	2.9734	3.2267	4.0378	3.0101	2.4051	3.0305	2.1876		1.1030	2.4863	2.4963	3.0670	2.1440
C12	2.2924	1.5172	3.4218	2.3752	3.0610	3.3823	2.4799	2.2198	2.1713	1.5553	1.1030		2.1866	2.1827	2.1791	1.5342
H13	2.8087	2.8649	4.9864	4.1216	5.2382	5.3699	4.5854	4.0713	3.6819	3.5425	2.4863	2.1866		1.7697	1.7728	1.0962
H14	3.9539	3.5110	5.4804	4.4472	4.9224	4.9716	4.3059	3.0413	2.8250	2.8641	2.4963	2.1827	1.7697		1.7736	1.0963
H15	3.1447	2.8272	4.5848	3.7083	4.8289	4.4040	3.9257	3.5670	2.4790	2.8485	3.0670	2.1791	1.7728	1.7736		1.0964
C16	2.9147	2.5688	4.5926	3.6214	4.5132	4.5003	3.7953	3.1300	2.6216	2.5916	2.1440	1.5342	1.0962	1.0963	1.0964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.068	H1	C2	C12	122.468
C2	C4	H3	125.110	C2	C4	C7	111.837
C2	C12	C10	102.236	C2	C12	H11	108.464
C2	C12	C16	114.665	H3	C4	C7	123.002
C4	C2	C12	112.425	C4	C7	H5	110.378
C4	C7	H6	113.066	C4	C7	C10	102.772
H5	C7	H6	106.325	H5	C7	C10	111.764
H6	C7	C10	112.654	C7	C10	H8	113.034
C7	C10	H9	109.196	C7	C10	C12	105.943
H8	C10	H9	107.291	H8	C10	C12	112.638
H9	C10	C12	108.650	C10	C12	H11	109.590
C10	C12	C16	114.031	H11	C12	C16	107.657
C12	C16	H13	111.368	C12	C16	H14	111.050
C12	C16	H15	110.758	H13	C16	H14	107.645
H13	C16	H15	107.902	H14	C16	H15	107.967

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

using model chemistry: B3LYP/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	ESP
1	H	0.119	0.160
2	C	-0.275	-0.388
3	H	0.121	0.116
4	C	-0.063	-0.155
5	H	0.148	0.020
6	H	0.142	0.016
7	C	-0.305	0.043
8	H	0.137	0.004
9	H	0.144	0.039
10	C	-0.493	-0.112
11	H	0.138	-0.038
12	C	0.340	0.444
13	H	0.141	0.098
14	H	0.143	0.077
15	H	0.147	0.102
16	C	-0.584	-0.426

	x	y	z	Total
	-0.007	-0.222	0.186	0.290
CHELPG
AIM
ESP	0.013	-0.180	0.157	0.239

	x	y	z
x	12.307	-0.330	-0.315
y	-0.330	10.059	-0.061
z	-0.315	-0.061	8.402

<r²>	166.215
(<r²>)^1/2	12.892

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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