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	hartrees
Energy at 0K	-234.507189
Energy at 298.15K	-234.518282
Nuclear repulsion energy	235.639827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3079	27.37
2	A	3217	3053	8.52
3	A	3150	2990	46.95
4	A	3149	2989	25.01
5	A	3142	2983	26.36
6	A	3108	2950	37.03
7	A	3079	2923	27.01
8	A	3069	2914	27.12
9	A	3050	2896	42.94
10	A	3020	2867	31.26
11	A	1727	1639	0.99
12	A	1530	1453	3.77
13	A	1527	1450	4.13
14	A	1527	1449	2.46
15	A	1508	1432	1.22
16	A	1434	1361	2.43
17	A	1414	1343	4.51
18	A	1360	1291	0.80
19	A	1349	1281	0.69
20	A	1332	1264	3.75
21	A	1310	1244	1.07
22	A	1246	1183	0.69
23	A	1219	1158	0.33
24	A	1160	1101	0.52
25	A	1133	1076	4.28
26	A	1120	1063	3.67
27	A	1087	1032	2.53
28	A	1022	970	1.95
29	A	984	934	0.35
30	A	976	926	1.99
31	A	966	917	0.63
32	A	933	886	2.56
33	A	873	828	1.94
34	A	839	796	1.21
35	A	760	721	4.97
36	A	746	708	25.79
37	A	581	551	3.99
38	A	496	471	2.39
39	A	339	322	0.04
40	A	285	270	0.13
41	A	240	228	0.04
42	A	123	117	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.292	2.209	0.090
C2	0.103	1.198	0.085
H3	2.165	1.571	-0.385
C4	1.368	0.870	-0.160
H5	2.116	-0.832	0.916
H6	2.211	-1.029	-0.825
C7	1.594	-0.610	-0.024
H8	0.043	-2.059	0.591
H9	-0.112	-1.440	-1.052
C10	0.162	-1.166	-0.028
H11	-0.885	-0.039	1.511
C12	-0.744	-0.002	0.420
H13	-2.726	0.836	0.098
H14	-2.666	-0.927	0.014
H15	-2.030	0.044	-1.321
C16	-2.120	-0.012	-0.233

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0854	2.5824	2.1483	3.9664	4.1945	3.3943	4.3101	3.8280	3.4077	2.7245	2.2813	2.7948	3.9341	3.1147	2.8946
C2	1.0854		2.1475	1.3306	2.9779	3.1995	2.3468	3.2963	2.8807	2.3676	2.1302	1.5068	2.8521	3.4911	2.8031	2.5505
H3	2.5824	2.1475		1.0848	2.7331	2.6381	2.2835	4.3161	3.8333	3.4105	3.9349	3.4035	4.9695	5.4532	4.5610	4.5703
C4	2.1483	1.3306	1.0848		2.1480	2.1813	1.5031	3.3008	2.8843	2.3700	2.9486	2.3578	4.1031	4.4200	3.6846	3.5988
H5	3.9664	2.9779	2.7331	2.1480		1.7548	1.0982	2.4311	3.0345	2.1961	3.1604	3.0192	5.1869	4.8681	4.7919	4.4653
H6	4.1945	3.1995	2.6381	2.1813	1.7548		1.0944	2.7865	2.3699	2.2033	4.0026	3.3671	5.3584	4.9502	4.4026	4.4884
C7	3.3943	2.3468	2.2835	1.5031	1.0982	1.0944		2.2096	2.1577	1.5365	2.9710	2.4564	4.5580	4.2726	3.9042	3.7679
H8	4.3101	3.2963	4.3161	3.3008	2.4311	2.7865	2.2096		1.7622	1.0922	2.4054	2.2081	4.0361	2.9923	3.5171	3.0894
H9	3.8280	2.8807	3.8333	2.8843	3.0345	2.3699	2.1577	1.7622		1.0953	3.0213	2.1524	3.6523	2.8152	2.4395	2.5969
C10	3.4077	2.3676	3.4105	2.3700	2.1961	2.2033	1.5365	1.0922	1.0953		2.1752	1.5409	3.5165	2.8386	2.8177	2.5652
H11	2.7245	2.1302	3.9349	2.9486	3.1604	4.0026	2.9710	2.4054	3.0213	2.1752		1.1004	2.4807	2.4909	3.0560	2.1369
C12	2.2813	1.5068	3.4035	2.3578	3.0192	3.3671	2.4564	2.2081	2.1524	1.5409	1.1004		2.1765	2.1715	2.1652	1.5231
H13	2.7948	2.8521	4.9695	4.1031	5.1869	5.3584	4.5580	4.0361	3.6523	3.5165	2.4807	2.1765		1.7659	1.7687	1.0937
H14	3.9341	3.4911	5.4532	4.4200	4.8681	4.9502	4.2726	2.9923	2.8152	2.8386	2.4909	2.1715	1.7659		1.7691	1.0937
H15	3.1147	2.8031	4.5610	3.6846	4.7919	4.4026	3.9042	3.5171	2.4395	2.8177	3.0560	2.1652	1.7687	1.7691		1.0940
C16	2.8946	2.5505	4.5703	3.5988	4.4653	4.4884	3.7679	3.0894	2.5969	2.5652	2.1369	1.5231	1.0937	1.0937	1.0940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.237	H1	C2	C12	122.469
C2	C4	H3	125.216	C2	C4	C7	111.677
C2	C12	C10	101.941	C2	C12	H11	108.580
C2	C12	C16	114.660	H3	C4	C7	123.044
C4	C2	C12	112.250	C4	C7	H5	110.358
C4	C7	H6	113.297	C4	C7	C10	102.460
H5	C7	H6	106.330	H5	C7	C10	111.847
H6	C7	C10	112.668	C7	C10	H8	113.317
C7	C10	H9	108.985	C7	C10	C12	105.914
H8	C10	H9	107.330	H8	C10	C12	112.874
H9	C10	C12	108.288	C10	C12	H11	109.760
C10	C12	C16	113.695	H11	C12	C16	108.001
C12	C16	H13	111.507	C12	C16	H14	111.105
C12	C16	H15	110.580	H13	C16	H14	107.668
H13	C16	H15	107.900	H14	C16	H15	107.931

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

using model chemistry: B1B95/6-31G*

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	H	0.146
2	C	-0.116
3	H	0.148
4	C	-0.143
5	H	0.165
6	H	0.162
7	C	-0.345
8	H	0.156
9	H	0.161
10	C	-0.323
11	H	0.160
12	C	-0.163
13	H	0.159
14	H	0.161
15	H	0.162
16	C	-0.491

	x	y	z	Total
	0.003	-0.121	0.120	0.170
CHELPG
AIM
ESP

	x	y	z
x	10.761	-0.358	-0.485
y	-0.358	8.757	-0.111
z	-0.485	-0.111	6.806

<r²>	163.286
(<r²>)^1/2	12.778

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

using model chemistry: B1B95/6-31G*

States and conformations

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