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	hartrees
Energy at 0K	-234.526814
Energy at 298.15K	-234.537890
Nuclear repulsion energy	235.392434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3227	3087	25.07
2	A	3201	3062	8.39
3	A	3130	2994	35.53
4	A	3129	2993	38.35
5	A	3123	2987	26.83
6	A	3091	2957	35.04
7	A	3059	2926	32.44
8	A	3048	2916	31.80
9	A	3032	2900	45.15
10	A	3001	2870	30.10
11	A	1700	1626	2.97
12	A	1499	1434	5.76
13	A	1495	1431	5.96
14	A	1495	1430	3.82
15	A	1477	1413	2.32
16	A	1406	1345	3.66
17	A	1393	1332	6.42
18	A	1339	1281	0.55
19	A	1328	1270	0.49
20	A	1310	1253	3.45
21	A	1291	1235	1.37
22	A	1228	1174	0.88
23	A	1202	1150	0.61
24	A	1146	1097	0.70
25	A	1118	1070	5.01
26	A	1105	1057	4.35
27	A	1074	1027	3.47
28	A	1010	966	2.31
29	A	974	932	0.21
30	A	965	923	2.77
31	A	955	913	0.88
32	A	923	883	3.15
33	A	865	827	2.36
34	A	830	794	1.27
35	A	753	720	5.08
36	A	737	705	38.44
37	A	575	550	4.58
38	A	494	472	2.89
39	A	338	323	0.04
40	A	285	272	0.11
41	A	238	227	0.04
42	A	124	119	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	-0.290	2.212	0.087
C2	0.102	1.199	0.083
H3	2.168	1.573	-0.383
C4	1.372	0.870	-0.160
H5	2.112	-0.831	0.924
H6	2.218	-1.031	-0.818
C7	1.596	-0.612	-0.021
H8	0.040	-2.062	0.584
H9	-0.109	-1.436	-1.059
C10	0.162	-1.167	-0.031
H11	-0.881	-0.038	1.510
C12	-0.744	-0.003	0.418
H13	-2.730	0.836	0.106
H14	-2.670	-0.927	0.018
H15	-2.039	0.046	-1.319
C16	-2.125	-0.012	-0.229

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0859	2.5828	2.1508	3.9664	4.1986	3.3973	4.3152	3.8281	3.4108	2.7272	2.2848	2.8010	3.9397	3.1187	2.8998
C2	1.0859		2.1501	1.3343	2.9783	3.2038	2.3499	3.3001	2.8801	2.3697	2.1295	1.5080	2.8555	3.4944	2.8072	2.5541
H3	2.5828	2.1501		1.0852	2.7370	2.6406	2.2871	4.3215	3.8336	3.4138	3.9337	3.4065	4.9769	5.4602	4.5722	4.5782
C4	2.1508	1.3343	1.0852		2.1482	2.1820	1.5045	3.3048	2.8842	2.3724	2.9477	2.3609	4.1108	4.4269	3.6955	3.6069
H5	3.9664	2.9783	2.7370	2.1482		1.7560	1.0987	2.4341	3.0379	2.1973	3.1511	3.0169	5.1859	4.8677	4.7989	4.4668
H6	4.1986	3.2038	2.6406	2.1820	1.7560		1.0945	2.7878	2.3746	2.2058	4.0008	3.3705	5.3688	4.9601	4.4199	4.4998
C7	3.3973	2.3499	2.2871	1.5045	1.0987	1.0945		2.2113	2.1595	1.5378	2.9675	2.4576	4.5634	4.2775	3.9152	3.7745
H8	4.3152	3.3001	4.3215	3.3048	2.4341	2.7878	2.2113		1.7636	1.0928	2.4082	2.2096	4.0369	2.9913	3.5188	3.0903
H9	3.8281	2.8801	3.8336	2.8842	3.0379	2.3746	2.1595	1.7636		1.0960	3.0243	2.1537	3.6591	2.8243	2.4473	2.6042
C10	3.4108	2.3697	3.4138	2.3724	2.1973	2.2058	1.5378	1.0928	1.0960		2.1761	1.5420	3.5202	2.8421	2.8233	2.5695
H11	2.7272	2.1295	3.9337	2.9477	3.1511	4.0008	2.9675	2.4082	3.0243	2.1761		1.1012	2.4808	2.4929	3.0576	2.1383
C12	2.2848	1.5080	3.4065	2.3609	3.0169	3.3705	2.4576	2.2096	2.1537	1.5420	1.1012		2.1779	2.1729	2.1665	1.5245
H13	2.8010	2.8555	4.9769	4.1108	5.1859	5.3688	4.5634	4.0369	3.6591	3.5202	2.4808	2.1779		1.7664	1.7696	1.0939
H14	3.9397	3.4944	5.4602	4.4269	4.8677	4.9601	4.2775	2.9913	2.8243	2.8421	2.4929	2.1729	1.7664		1.7699	1.0941
H15	3.1187	2.8072	4.5722	3.6955	4.7989	4.4199	3.9152	3.5188	2.4473	2.8233	3.0576	2.1665	1.7696	1.7699		1.0944
C16	2.8998	2.5541	4.5782	3.6069	4.4668	4.4998	3.7745	3.0903	2.6042	2.5695	2.1383	1.5245	1.0939	1.0941	1.0944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.106	H1	C2	C12	122.658
C2	C4	H3	125.100	C2	C4	C7	111.597
C2	C12	C10	101.962	C2	C12	H11	108.401
C2	C12	C16	114.753	H3	C4	C7	123.239
C4	C2	C12	112.188	C4	C7	H5	110.250
C4	C7	H6	113.241	C4	C7	C10	102.478
H5	C7	H6	106.385	H5	C7	C10	111.829
H6	C7	C10	112.769	C7	C10	H8	113.331
C7	C10	H9	109.002	C7	C10	C12	105.875
H8	C10	H9	107.357	H8	C10	C12	112.879
H9	C10	C12	108.264	C10	C12	H11	109.703
C10	C12	C16	113.844	H11	C12	C16	107.960
C12	C16	H13	111.501	C12	C16	H14	111.088
C12	C16	H15	110.556	H13	C16	H14	107.672
H13	C16	H15	107.931	H14	C16	H15	107.944

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

using model chemistry: B1B95/6-31+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	H	0.138
2	C	-0.287
3	H	0.139
4	C	-0.079
5	H	0.164
6	H	0.156
7	C	-0.327
8	H	0.154
9	H	0.162
10	C	-0.528
11	H	0.160
12	C	0.294
13	H	0.154
14	H	0.156
15	H	0.160
16	C	-0.617

	x	y	z	Total
	-0.009	-0.219	0.194	0.293
CHELPG
AIM
ESP

	x	y	z
x	12.102	-0.328	-0.317
y	-0.328	9.901	-0.060
z	-0.317	-0.060	8.265

<r²>	164.189
(<r²>)^1/2	12.814

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

using model chemistry: B1B95/6-31+G**

States and conformations

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