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	hartrees
Energy at 0K	-230.254335
Energy at 298.15K	-230.265644
Nuclear repulsion energy	234.530901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3065	0.07
2	A	3750	3062	2.57
3	A	3748	3061	1.39
4	A	3715	3034	19.03
5	A	3706	3026	5.05
6	A	3705	3025	0.81
7	A	3649	2980	3.69
8	A	3593	2934	0.68
9	A	3592	2933	7.23
10	A	3565	2911	2.49
11	A	2055	1678	0.87
12	A	1840	1502	0.97
13	A	1838	1501	1.53
14	A	1834	1498	0.09
15	A	1829	1493	0.80
16	A	1743	1423	0.35
17	A	1686	1377	1.81
18	A	1648	1346	0.50
19	A	1612	1316	5.88
20	A	1580	1290	6.20
21	A	1554	1269	2.24
22	A	1469	1200	1.13
23	A	1410	1151	0.00
24	A	1365	1115	0.64
25	A	1323	1080	0.67
26	A	1311	1071	0.87
27	A	1264	1032	0.65
28	A	1190	971	2.39
29	A	1178	962	0.50
30	A	1148	937	0.04
31	A	1105	902	2.10
32	A	1093	893	0.05
33	A	1082	883	0.23
34	A	967	790	0.09
35	A	894	730	0.04
36	A	842	687	12.06
37	A	683	558	2.05
38	A	479	391	0.49
39	A	439	359	0.00
40	A	361	295	0.08
41	A	260	212	0.00
42	A	87	71	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	-2.420	-1.290	-0.228
C2	-1.553	-0.654	-0.108
H3	-2.419	1.290	-0.228
C4	-1.553	0.654	-0.108
H5	0.179	-1.695	-0.881
H6	-0.111	-2.006	0.820
C7	-0.154	-1.237	0.051
H8	-0.111	2.006	0.821
H9	0.179	1.695	-0.881
C10	-0.154	1.237	0.051
H11	0.865	-0.000	1.500
C12	0.720	-0.000	0.420
H13	2.674	-0.880	0.041
H14	2.674	0.880	0.041
H15	2.012	0.000	-1.333
C16	2.108	-0.000	-0.251

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0819	2.5808	2.1323	2.7094	2.6348	2.2829	4.1590	4.0112	3.4057	3.9293	3.4553	5.1166	5.5427	4.7460	4.7075
C2	1.0819		2.1323	1.3082	2.1632	2.1840	1.5236	3.1652	3.0190	2.3578	2.9764	2.4229	4.2350	4.4986	3.8258	3.7212
H3	2.5808	2.1323		1.0819	4.0111	4.1590	3.4057	2.6349	2.7094	2.2829	3.9294	3.4553	5.5427	5.1166	4.7460	4.7075
C4	2.1323	1.3082	1.0819		3.0189	3.1653	2.3578	2.1840	2.1632	1.5236	2.9765	2.4229	4.4986	4.2350	3.8257	3.7212
H5	2.7094	2.1632	4.0111	3.0189		1.7541	1.0904	4.0840	3.3899	3.0950	3.0024	2.2046	2.7821	3.7022	2.5374	2.6442
H6	2.6348	2.1840	4.1590	3.1653	1.7541		1.0887	4.0124	4.0840	3.3340	2.3321	2.2078	3.1028	4.0852	3.6287	3.1771
C7	2.2829	1.5236	3.4057	2.3578	1.0904	1.0887		3.3341	3.0950	2.4750	2.1612	1.5594	2.8503	3.5327	2.8528	2.5959
H8	4.1590	3.1652	2.6349	2.1840	4.0840	4.0124	3.3341		1.7541	1.0887	2.3321	2.2078	4.0852	3.1028	3.6287	3.1771
H9	4.0112	3.0190	2.7094	2.1632	3.3899	4.0840	3.0950	1.7541		1.0904	3.0024	2.2045	3.7021	2.7821	2.5374	2.6441
C10	3.4057	2.3578	2.2829	1.5236	3.0950	3.3340	2.4750	1.0887	1.0904		2.1612	1.5594	3.5327	2.8503	2.8528	2.5959
H11	3.9293	2.9764	3.9294	2.9765	3.0024	2.3321	2.1612	2.3321	3.0024	2.1612		1.0893	2.4844	2.4844	3.0560	2.1470
C12	3.4553	2.4229	3.4553	2.4229	2.2046	2.2078	1.5594	2.2078	2.2045	1.5594	1.0893		2.1762	2.1762	2.1781	1.5419
H13	5.1166	4.2350	5.5427	4.4986	2.7821	3.1028	2.8503	4.0852	3.7021	3.5327	2.4844	2.1762		1.7599	1.7606	1.0862
H14	5.5427	4.4986	5.1166	4.2350	3.7022	4.0852	3.5327	3.1028	2.7821	2.8503	2.4844	2.1762	1.7599		1.7606	1.0862
H15	4.7460	3.8258	4.7460	3.8257	2.5374	3.6287	2.8528	3.6287	2.5374	2.8528	3.0560	2.1781	1.7606	1.7606		1.0860
C16	4.7075	3.7212	4.7075	3.7212	2.6442	3.1771	2.5959	3.1771	2.6441	2.5959	2.1470	1.5419	1.0862	1.0862	1.0860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.024	H1	C2	C7	121.447
C2	C4	H3	126.024	C2	C4	C10	112.514
C2	C7	H5	110.601	C2	C7	H6	112.380
C2	C7	C12	103.605	H3	C4	C10	121.447
C4	C2	C7	112.513	C4	C10	H8	112.383
C4	C10	H9	110.598	C4	C10	C12	103.605
H5	C7	H6	107.212	H5	C7	C12	111.376
H6	C7	C12	111.734	C7	C12	C10	105.042
C7	C12	H11	108.046	C7	C12	C16	113.659
H8	C10	H9	107.212	H8	C10	C12	111.735
H9	C10	C12	111.374	C10	C12	H11	108.045
C10	C12	C16	113.659	H11	C12	C16	108.133
C12	C16	H13	110.599	C12	C16	H14	110.599
C12	C16	H15	110.762	H13	C16	H14	108.210
H13	C16	H15	108.291	H14	C16	H15	108.291

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

using model chemistry: HF/STO-3G

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	0.057
2	C	-0.068
3	H	0.057
4	C	-0.068
5	H	0.055
6	H	0.055
7	C	-0.109
8	H	0.055
9	H	0.055
10	C	-0.109
11	H	0.050
12	C	-0.020
13	H	0.057
14	H	0.057
15	H	0.056
16	C	-0.180

	x	y	z	Total
	0.131	0.000	0.013	0.131
CHELPG
AIM
ESP

	x	y	z
x	4.873	0.000	0.138
y	0.000	5.895	-0.000
z	0.138	-0.000	3.303

<r²>	163.264
(<r²>)^1/2	12.777

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

using model chemistry: HF/STO-3G

States and conformations

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