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	hartrees
Energy at 0K	-234.414994
Energy at 298.15K	-234.407911
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3085	36.15
2	A	3188	3061	10.34
3	A	3104	2981	30.82
4	A	3103	2980	55.45
5	A	3065	2943	41.78
6	A	3059	2937	40.96
7	A	3038	2918	38.52
8	A	3030	2910	9.46
9	A	3001	2882	27.71
10	A	3001	2882	44.74
11	A	1702	1634	2.86
12	A	1532	1471	5.92
13	A	1528	1467	1.88
14	A	1524	1464	0.18
15	A	1517	1457	0.46
16	A	1440	1383	1.48
17	A	1392	1337	0.08
18	A	1392	1337	3.79
19	A	1350	1297	2.11
20	A	1325	1272	0.43
21	A	1312	1260	3.71
22	A	1251	1202	0.41
23	A	1179	1132	0.06
24	A	1159	1113	2.24
25	A	1142	1097	0.20
26	A	1119	1074	1.13
27	A	1074	1031	1.40
28	A	999	960	6.47
29	A	984	945	0.35
30	A	972	933	0.00
31	A	944	907	4.12
32	A	932	895	3.58
33	A	913	877	0.47
34	A	822	790	1.00
35	A	777	746	0.36
36	A	708	680	29.12
37	A	576	553	3.35
38	A	425	408	0.93
39	A	396	380	0.08
40	A	315	303	0.09
41	A	254	244	0.01
42	A	103	99	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	2.441	1.294	-0.148
C2	1.556	0.668	-0.068
H3	2.441	-1.294	-0.148
C4	1.556	-0.668	-0.068
H5	-0.148	1.634	-0.981
H6	0.053	2.058	0.714
C7	0.155	1.231	-0.001
H8	0.053	-2.058	0.714
H9	-0.148	-1.634	-0.981
C10	0.155	-1.231	-0.001
H11	-0.788	-0.000	1.491
C12	-0.709	-0.000	0.396
H13	-2.686	0.885	0.122
H14	-2.686	-0.885	0.122
H15	-2.087	-0.000	-1.290
C16	-2.120	-0.000	-0.193

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0870	2.5878	2.1536	2.7408	2.6517	2.2917	4.2050	3.9962	3.4093	3.8460	3.4491	5.1508	5.5777	4.8458	4.7417
C2	1.0870		2.1536	1.3357	2.1611	2.1919	1.5115	3.2096	3.0060	2.3608	2.8940	2.4071	4.2522	4.5216	3.9002	3.7388
H3	2.5878	2.1536		1.0870	3.9962	4.2050	3.4093	2.6517	2.7408	2.2917	3.8460	3.4491	5.5777	5.1508	4.8458	4.7417
C4	2.1536	1.3357	1.0870		3.0060	3.2096	2.3608	2.1919	2.1611	1.5115	2.8939	2.4071	4.5216	4.2522	3.9002	3.7388
H5	2.7408	2.1611	3.9962	3.0060		1.7591	1.1024	4.0676	3.2684	3.0434	3.0321	2.2094	2.8675	3.7427	2.5547	2.6800
H6	2.6517	2.1919	4.2050	3.2096	1.7591		1.0979	4.1156	4.0677	3.3673	2.3549	2.2175	3.0378	4.0636	3.5822	3.1275
C7	2.2917	1.5115	3.4093	2.3608	1.1024	1.0979		3.3673	3.0435	2.4622	2.1522	1.5557	2.8650	3.5448	2.8645	2.5943
H8	4.2050	3.2096	2.6517	2.1919	4.0676	4.1156	3.3673		1.7591	1.0979	2.3549	2.2175	4.0636	3.0378	3.5822	3.1275
H9	3.9962	3.0060	2.7408	2.1611	3.2684	4.0677	3.0435	1.7591		1.1024	3.0321	2.2094	3.7427	2.8676	2.5547	2.6800
C10	3.4093	2.3608	2.2917	1.5115	3.0434	3.3673	2.4622	1.0979	1.1024		2.1522	1.5557	3.5448	2.8650	2.8645	2.5943
H11	3.8460	2.8940	3.8460	2.8939	3.0321	2.3549	2.1522	2.3549	3.0321	2.1522		1.0985	2.5017	2.5017	3.0698	2.1476
C12	3.4491	2.4071	3.4491	2.4071	2.2094	2.2175	1.5557	2.2175	2.2094	1.5557	1.0985		2.1830	2.1830	2.1771	1.5289
H13	5.1508	4.2522	5.5777	4.5216	2.8675	3.0378	2.8650	4.0636	3.7427	3.5448	2.5017	2.1830		1.7699	1.7715	1.0968
H14	5.5777	4.5216	5.1508	4.2522	3.7427	4.0636	3.5448	3.0378	2.8676	2.8650	2.5017	2.1830	1.7699		1.7715	1.0968
H15	4.8458	3.9002	4.8458	3.9002	2.5547	3.5822	2.8645	3.5822	2.5547	2.8645	3.0698	2.1771	1.7715	1.7715		1.0975
C16	4.7417	3.7388	4.7417	3.7388	2.6800	3.1275	2.5943	3.1275	2.6800	2.5943	2.1476	1.5289	1.0968	1.0968	1.0975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.165	H1	C2	C7	122.912
C2	C4	H3	125.165	C2	C4	C10	111.878
C2	C7	H5	110.561	C2	C7	H6	113.329
C2	C7	C12	103.393	H3	C4	C10	122.911
C4	C2	C7	111.878	C4	C10	H8	113.327
C4	C10	H9	110.563	C4	C10	C12	103.393
H5	C7	H6	106.160	H5	C7	C12	111.301
H6	C7	C12	112.219	C7	C12	C10	104.623
C7	C12	H11	107.101	C7	C12	C16	114.502
H8	C10	H9	106.160	H8	C10	C12	112.218
H9	C10	C12	111.303	C10	C12	H11	107.101
C10	C12	C16	114.502	H11	C12	C16	108.535
C12	C16	H13	111.418	C12	C16	H14	111.419
C12	C16	H15	110.907	H13	C16	H14	107.578
H13	C16	H15	107.667	H14	C16	H15	107.667

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

using model chemistry: G3B3

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	CHELPG	ESP
1	H	0.122	0.116	0.127
2	C	-0.107	-0.230	-0.209
3	H	0.122	0.116	0.127
4	C	-0.107	-0.230	-0.209
5	H	0.139	-0.021	0.043
6	H	0.137	-0.034	0.022
7	C	-0.303	0.158	-0.027
8	H	0.137	-0.034	0.022
9	H	0.139	-0.021	0.043
10	C	-0.303	0.158	-0.027
11	H	0.132	-0.027	0.007
12	C	-0.078	0.151	0.220
13	H	0.141	0.056	0.101
14	H	0.141	0.056	0.101
15	H	0.141	0.061	0.113
16	C	-0.453	-0.278	-0.454

	x	y	z	Total
	-0.141	0.000	0.026	0.143
CHELPG	-0.100	0.000	-0.006	0.100
AIM
ESP	-0.137	0.000	0.005	0.137

<r²>	164.780
(<r²>)^1/2	12.837

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

using model chemistry: G3B3

States and conformations

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