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	hartrees
Energy at 0K	-234.644540
Energy at 298.15K	-234.655699
HF Energy	-234.644540
Nuclear repulsion energy	235.588394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3232	3087	22.90
2	A	3207	3063	6.46
3	A	3120	2979	26.94
4	A	3119	2979	56.96
5	A	3098	2958	24.57
6	A	3093	2954	31.71
7	A	3059	2921	12.51
8	A	3044	2907	34.53
9	A	3031	2895	45.43
10	A	3031	2894	18.25
11	A	1713	1636	4.23
12	A	1508	1440	6.36
13	A	1503	1435	3.36
14	A	1503	1435	1.52
15	A	1497	1430	5.98
16	A	1420	1357	5.96
17	A	1389	1327	3.65
18	A	1381	1319	1.02
19	A	1340	1280	1.70
20	A	1321	1262	1.28
21	A	1305	1246	3.65
22	A	1250	1193	0.44
23	A	1182	1129	0.14
24	A	1164	1112	2.39
25	A	1135	1084	0.56
26	A	1117	1067	1.36
27	A	1079	1030	3.09
28	A	1001	956	7.50
29	A	989	944	1.20
30	A	987	943	1.02
31	A	944	901	6.06
32	A	931	889	6.01
33	A	917	875	0.73
34	A	833	796	1.13
35	A	785	750	0.78
36	A	709	678	43.53
37	A	584	558	4.76
38	A	436	416	1.02
39	A	400	382	0.05
40	A	320	305	0.04
41	A	243	233	0.00
42	A	96	92	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	-2.435	-1.283	-0.133
C2	-1.550	-0.663	-0.064
H3	-2.435	1.283	-0.133
C4	-1.550	0.663	-0.064
H5	0.144	-1.604	-0.991
H6	-0.047	-2.049	0.698
C7	-0.152	-1.221	-0.007
H8	-0.047	2.049	0.698
H9	0.144	1.604	-0.991
C10	-0.152	1.221	-0.007
H11	0.775	0.000	1.485
C12	0.705	0.000	0.393
H13	2.672	-0.883	0.130
H14	2.672	0.883	0.130
H15	2.077	0.000	-1.279
C16	2.112	0.000	-0.187

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0827	2.5666	2.1391	2.7365	2.6419	2.2866	4.1831	3.9654	3.3903	3.8167	3.4324	5.1294	5.5535	4.8282	4.7245
C2	1.0827		2.1391	1.3260	2.1481	2.1823	1.5058	3.1933	2.9781	2.3461	2.8715	2.3946	4.2324	4.5005	3.8816	3.7234
H3	2.5666	2.1391		1.0827	3.9654	4.1831	3.3903	2.6419	2.7365	2.2866	3.8167	3.4324	5.5535	5.1294	4.8282	4.7245
C4	2.1391	1.3260	1.0827		2.9781	3.1933	2.3461	2.1823	2.1481	1.5058	2.8715	2.3946	4.5005	4.2324	3.8816	3.7234
H5	2.7365	2.1481	3.9654	2.9781		1.7566	1.0972	4.0295	3.2088	3.0062	3.0171	2.1919	2.8582	3.7194	2.5282	2.6633
H6	2.6419	2.1823	4.1831	3.1933	1.7566		1.0927	4.0985	4.0295	3.3465	2.3440	2.2039	3.0127	4.0387	3.5520	3.1050
C7	2.2866	1.5058	3.3903	2.3461	1.0972	1.0927		3.3465	3.0062	2.4412	2.1390	1.5443	2.8482	3.5244	2.8422	2.5786
H8	4.1831	3.1933	2.6419	2.1823	4.0295	4.0985	3.3465		1.7566	1.0927	2.3440	2.2039	4.0387	3.0127	3.5520	3.1050
H9	3.9654	2.9781	2.7365	2.1481	3.2088	4.0295	3.0062	1.7566		1.0972	3.0171	2.1919	3.7194	2.8583	2.5282	2.6633
C10	3.3903	2.3461	2.2866	1.5058	3.0062	3.3465	2.4412	1.0927	1.0972		2.1390	1.5443	3.5244	2.8482	2.8422	2.5786
H11	3.8167	2.8715	3.8167	2.8715	3.0171	2.3440	2.1390	2.3440	3.0171	2.1390		1.0942	2.4931	2.4931	3.0557	2.1407
C12	3.4324	2.3946	3.4324	2.3946	2.1919	2.2039	1.5443	2.2039	2.1919	1.5443	1.0942		2.1722	2.1722	2.1630	1.5217
H13	5.1294	4.2324	5.5535	4.5005	2.8582	3.0127	2.8482	4.0387	3.7194	3.5244	2.4931	2.1722		1.7653	1.7666	1.0925
H14	5.5535	4.5005	5.1294	4.2324	3.7194	4.0387	3.5244	3.0127	2.8583	2.8482	2.4931	2.1722	1.7653		1.7666	1.0925
H15	4.8282	3.8816	4.8282	3.8816	2.5282	3.5520	2.8422	3.5520	2.5282	2.8422	3.0557	2.1630	1.7666	1.7666		1.0934
C16	4.7245	3.7234	4.7245	3.7234	2.6633	3.1050	2.5786	3.1050	2.6633	2.5786	2.1407	1.5217	1.0925	1.0925	1.0934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.954	H1	C2	C7	123.277
C2	C4	H3	124.954	C2	C4	C10	111.734
C2	C7	H5	110.236	C2	C7	H6	113.288
C2	C7	C12	103.449	H3	C4	C10	123.277
C4	C2	C7	111.734	C4	C10	H8	113.287
C4	C10	H9	110.236	C4	C10	C12	103.449
H5	C7	H6	106.669	H5	C7	C12	111.021
H6	C7	C12	112.254	C7	C12	C10	104.439
C7	C12	H11	107.088	C7	C12	C16	114.499
H8	C10	H9	106.670	H8	C10	C12	112.254
H9	C10	C12	111.021	C10	C12	H11	107.088
C10	C12	C16	114.499	H11	C12	C16	108.740
C12	C16	H13	111.335	C12	C16	H14	111.335
C12	C16	H15	110.546	H13	C16	H14	107.796
H13	C16	H15	107.838	H14	C16	H15	107.838

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

using model chemistry: wB97X-D/TZVP

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	0.136
2	C	-0.153
3	H	0.136
4	C	-0.153
5	H	0.127
6	H	0.129
7	C	-0.254
8	H	0.129
9	H	0.127
10	C	-0.254
11	H	0.144
12	C	-0.060
13	H	0.128
14	H	0.128
15	H	0.117
16	C	-0.423

	x	y	z	Total
	0.253	0.000	0.029	0.254
CHELPG
AIM
ESP

	x	y	z
x	10.614	0.000	0.045
y	0.000	11.046	0.000
z	0.045	0.000	8.034

<r²>	163.323
(<r²>)^1/2	12.780

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

using model chemistry: wB97X-D/TZVP

States and conformations

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