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	hartrees
Energy at 0K	-234.614264
Energy at 298.15K	-234.625388
Nuclear repulsion energy	235.117189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3096	25.53
2	A	3205	3071	7.73
3	A	3129	2999	26.80
4	A	3125	2994	49.25
5	A	3092	2963	30.52
6	A	3087	2958	33.33
7	A	3053	2925	17.69
8	A	3045	2918	31.55
9	A	3022	2896	38.93
10	A	3021	2895	31.63
11	A	1700	1629	5.79
12	A	1483	1421	6.93
13	A	1478	1417	1.45
14	A	1476	1415	2.21
15	A	1471	1409	4.30
16	A	1397	1339	6.02
17	A	1374	1317	0.84
18	A	1371	1314	2.96
19	A	1330	1275	1.98
20	A	1299	1245	0.32
21	A	1283	1229	3.02
22	A	1230	1179	0.30
23	A	1174	1125	0.00
24	A	1147	1099	2.23
25	A	1129	1082	0.76
26	A	1113	1067	0.30
27	A	1069	1025	3.95
28	A	995	954	1.12
29	A	995	953	11.56
30	A	962	922	0.02
31	A	930	891	5.11
32	A	926	887	6.43
33	A	905	867	0.00
34	A	836	801	1.16
35	A	781	749	0.70
36	A	697	668	40.71
37	A	577	553	4.63
38	A	421	403	1.09
39	A	397	380	0.07
40	A	314	301	0.04
41	A	250	240	0.00
42	A	100	96	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	-2.439	-1.292	-0.143
C2	-1.549	-0.668	-0.065
H3	-2.440	1.292	-0.142
C4	-1.550	0.668	-0.064
H5	0.146	-1.621	-0.990
H6	-0.047	-2.053	0.708
C7	-0.152	-1.224	-0.005
H8	-0.046	2.054	0.707
H9	0.146	1.620	-0.990
C10	-0.152	1.224	-0.005
H11	0.779	0.000	1.489
C12	0.705	0.000	0.391
H13	2.675	-0.886	0.131
H14	2.675	0.886	0.131
H15	2.080	-0.000	-1.287
C16	2.111	-0.000	-0.188

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0896	2.5838	2.1542	2.7407	2.6512	2.2922	4.2005	3.9854	3.4028	3.8325	3.4408	5.1377	5.5656	4.8376	4.7303
C2	1.0896		2.1542	1.3366	2.1539	2.1849	1.5046	3.2040	2.9948	2.3528	2.8775	2.3948	4.2345	4.5055	3.8875	3.7228
H3	2.5838	2.1542		1.0896	3.9865	4.1999	3.4028	2.6516	2.7409	2.2925	3.8323	3.4408	5.5657	5.1378	4.8381	4.7306
C4	2.1542	1.3366	1.0896		2.9957	3.2035	2.3528	2.1853	2.1536	1.5048	2.8774	2.3948	4.5056	4.2345	3.8878	3.7229
H5	2.7407	2.1539	3.9865	2.9957		1.7627	1.1034	4.0526	3.2418	3.0256	3.0283	2.2014	2.8619	3.7333	2.5407	2.6702
H6	2.6512	2.1849	4.1999	3.2035	1.7627		1.0988	4.1070	4.0520	3.3554	2.3465	2.2094	3.0170	4.0474	3.5664	3.1104
C7	2.2922	1.5046	3.4028	2.3528	1.1034	1.0988		3.3558	3.0250	2.4477	2.1435	1.5456	2.8507	3.5305	2.8505	2.5795
H8	4.2005	3.2040	2.6516	2.1853	4.0526	4.1070	3.3558		1.7627	1.0987	2.3470	2.2095	4.0472	3.0165	3.5662	3.1102
H9	3.9854	2.9948	2.7409	2.1536	3.2418	4.0520	3.0250	1.7627		1.1035	3.0284	2.2012	3.7333	2.8622	2.5408	2.6703
C10	3.4028	2.3528	2.2925	1.5048	3.0256	3.3554	2.4477	1.0987	1.1035		2.1434	1.5454	3.5304	2.8505	2.8506	2.5794
H11	3.8325	2.8775	3.8323	2.8774	3.0283	2.3465	2.1435	2.3470	3.0284	2.1434		1.1002	2.4945	2.4947	3.0654	2.1415
C12	3.4408	2.3948	3.4408	2.3948	2.2014	2.2094	1.5456	2.2095	2.2012	1.5454	1.1002		2.1760	2.1760	2.1695	1.5208
H13	5.1377	4.2345	5.5657	4.5056	2.8619	3.0170	2.8507	4.0472	3.7333	3.5304	2.4945	2.1760		1.7725	1.7749	1.0980
H14	5.5656	4.5055	5.1378	4.2345	3.7333	4.0474	3.5305	3.0165	2.8622	2.8505	2.4947	2.1760	1.7725		1.7749	1.0980
H15	4.8376	3.8875	4.8381	3.8878	2.5407	3.5664	2.8505	3.5662	2.5408	2.8506	3.0654	2.1695	1.7749	1.7749		1.0991
C16	4.7303	3.7228	4.7306	3.7229	2.6702	3.1104	2.5795	3.1102	2.6703	2.5794	2.1415	1.5208	1.0980	1.0980	1.0991

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.913	H1	C2	C7	123.363
C2	C4	H3	124.913	C2	C4	C10	111.661
C2	C7	H5	110.408	C2	C7	H6	113.199
C2	C7	C12	103.454	H3	C4	C10	123.374
C4	C2	C7	111.673	C4	C10	H8	113.224
C4	C10	H9	110.370	C4	C10	C12	103.454
H5	C7	H6	106.337	H5	C7	C12	111.318
H6	C7	C12	112.234	C7	C12	C10	104.722
C7	C12	H11	107.018	C7	C12	C16	114.535
H8	C10	H9	106.340	H8	C10	C12	112.254
H9	C10	C12	111.307	C10	C12	H11	107.020
C10	C12	C16	114.537	H11	C12	C16	108.518
C12	C16	H13	111.358	C12	C16	H14	111.360
C12	C16	H15	110.775	H13	C16	H14	107.635
H13	C16	H15	107.771	H14	C16	H15	107.772

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	-0.392
2	C	0.331
3	H	-0.392
4	C	0.331
5	H	-0.189
6	H	-0.220
7	C	0.558
8	H	-0.220
9	H	-0.188
10	C	0.558
11	H	-0.335
12	C	-0.128
13	H	-0.119
14	H	-0.119
15	H	-0.077
16	C	0.600

	x	y	z	Total
	0.266	-0.000	0.032	0.268
CHELPG
AIM
ESP

	x	y	z
x	11.441	0.000	-0.019
y	0.000	11.490	0.000
z	-0.019	0.000	8.605

<r²>	164.034
(<r²>)^1/2	12.808

All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)