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	hartrees
Energy at 0K	-234.562846
Energy at 298.15K	-234.573829
HF Energy	-234.562846
Nuclear repulsion energy	234.619509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3137	3096	35.41
2	A	3112	3071	11.90
3	A	3030	2991	33.24
4	A	3028	2989	60.35
5	A	2995	2956	30.92
6	A	2990	2951	46.50
7	A	2962	2924	50.42
8	A	2957	2919	8.82
9	A	2928	2890	49.57
10	A	2927	2889	25.96
11	A	1631	1609	6.53
12	A	1474	1455	6.83
13	A	1470	1450	2.54
14	A	1460	1441	0.87
15	A	1454	1435	2.35
16	A	1381	1363	2.06
17	A	1343	1326	0.32
18	A	1337	1320	5.49
19	A	1300	1283	0.97
20	A	1277	1260	0.27
21	A	1265	1248	4.74
22	A	1212	1196	0.29
23	A	1141	1126	0.31
24	A	1122	1108	1.93
25	A	1108	1094	0.35
26	A	1084	1070	1.76
27	A	1042	1028	2.73
28	A	969	957	8.09
29	A	960	947	0.76
30	A	943	931	0.00
31	A	913	901	5.67
32	A	904	892	5.06
33	A	885	873	0.61
34	A	802	791	1.15
35	A	765	755	0.58
36	A	682	673	38.57
37	A	564	557	4.17
38	A	416	411	0.95
39	A	386	381	0.08
40	A	313	309	0.04
41	A	249	246	0.00
42	A	89	88	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	-2.439	-1.293	-0.150
C2	-1.554	-0.668	-0.068
H3	-2.439	1.293	-0.150
C4	-1.554	0.668	-0.068
H5	0.150	-1.624	-0.983
H6	-0.051	-2.057	0.710
C7	-0.154	-1.229	-0.001
H8	-0.051	2.057	0.710
H9	0.150	1.624	-0.983
C10	-0.154	1.229	-0.001
H11	0.786	0.000	1.493
C12	0.709	0.000	0.398
H13	2.682	-0.885	0.119
H14	2.682	0.885	0.119
H15	2.073	-0.000	-1.290
C16	2.116	0.000	-0.194

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0865	2.5859	2.1534	2.7392	2.6504	2.2904	4.2029	3.9880	3.4059	3.8435	3.4471	5.1436	5.5708	4.8297	4.7348
C2	1.0865		2.1534	1.3367	2.1569	2.1889	1.5089	3.2081	2.9991	2.3583	2.8910	2.4050	4.2448	4.5149	3.8848	3.7320
H3	2.5859	2.1534		1.0865	3.9880	4.2029	3.4059	2.6504	2.7392	2.2904	3.8435	3.4471	5.5708	5.1436	4.8297	4.7348
C4	2.1534	1.3367	1.0865		2.9991	3.2081	2.3583	2.1889	2.1569	1.5089	2.8910	2.4050	4.5149	4.2448	3.8848	3.7320
H5	2.7392	2.1569	3.9880	2.9991		1.7593	1.1017	4.0574	3.2487	3.0327	3.0291	2.2043	2.8584	3.7311	2.5361	2.6697
H6	2.6504	2.1889	4.2029	3.2081	1.7593		1.0967	4.1147	4.0574	3.3637	2.3552	2.2156	3.0321	4.0593	3.5702	3.1221
C7	2.2904	1.5089	3.4059	2.3583	1.1017	1.0967		3.3637	3.0327	2.4574	2.1507	1.5538	2.8590	3.5389	2.8517	2.5885
H8	4.2029	3.2081	2.6504	2.1889	4.0574	4.1147	3.3637		1.7593	1.0967	2.3552	2.2156	4.0593	3.0321	3.5702	3.1221
H9	3.9880	2.9991	2.7392	2.1569	3.2487	4.0574	3.0327	1.7593		1.1017	3.0291	2.2043	3.7311	2.8584	2.5361	2.6697
C10	3.4059	2.3583	2.2904	1.5089	3.0327	3.3637	2.4574	1.0967	1.1017		2.1507	1.5538	3.5389	2.8590	2.8517	2.5885
H11	3.8435	2.8910	3.8435	2.8910	3.0291	2.3552	2.1507	2.3552	3.0291	2.1507		1.0980	2.5033	2.5033	3.0663	2.1484
C12	3.4471	2.4050	3.4471	2.4050	2.2043	2.2156	1.5538	2.2156	2.2043	1.5538	1.0980		2.1798	2.1798	2.1699	1.5261
H13	5.1436	4.2448	5.5708	4.5149	2.8584	3.0321	2.8590	4.0593	3.7311	3.5389	2.5033	2.1798		1.7702	1.7713	1.0959
H14	5.5708	4.5149	5.1436	4.2448	3.7311	4.0593	3.5389	3.0321	2.8584	2.8590	2.5033	2.1798	1.7702		1.7713	1.0959
H15	4.8297	3.8848	4.8297	3.8848	2.5361	3.5702	2.8517	3.5702	2.5361	2.8517	3.0663	2.1699	1.7713	1.7713		1.0968
C16	4.7348	3.7320	4.7348	3.7320	2.6697	3.1221	2.5885	3.1221	2.6697	2.5885	2.1484	1.5261	1.0959	1.0959	1.0968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.060	H1	C2	C7	123.209
C2	C4	H3	125.060	C2	C4	C10	111.687
C2	C7	H5	110.341	C2	C7	H6	113.444
C2	C7	C12	103.503	H3	C4	C10	123.209
C4	C2	C7	111.687	C4	C10	H8	113.443
C4	C10	H9	110.342	C4	C10	C12	103.503
H5	C7	H6	106.338	H5	C7	C12	110.970
H6	C7	C12	112.338	C7	C12	C10	104.403
C7	C12	H11	106.958	C7	C12	C16	114.610
H8	C10	H9	106.338	H8	C10	C12	112.338
H9	C10	C12	110.971	C10	C12	H11	106.958
C10	C12	C16	114.610	H11	C12	C16	108.781
C12	C16	H13	111.478	C12	C16	H14	111.478
C12	C16	H15	110.536	H13	C16	H14	107.681
H13	C16	H15	107.749	H14	C16	H15	107.749

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.111
2	C	-0.134
3	H	0.111
4	C	-0.134
5	H	0.117
6	H	0.107
7	C	-0.207
8	H	0.107
9	H	0.117
10	C	-0.207
11	H	0.094
12	C	0.005
13	H	0.111
14	H	0.111
15	H	0.135
16	C	-0.443

	x	y	z	Total
	0.274	0.000	0.038	0.276
CHELPG
AIM
ESP

	x	y	z
x	11.853	0.000	-0.028
y	0.000	11.743	0.000
z	-0.028	0.000	8.790

<r²>	164.857
(<r²>)^1/2	12.840

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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