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	hartrees
Energy at 0K	-234.740203
Energy at 298.15K	-234.751097
HF Energy	-234.740203
Nuclear repulsion energy	233.556749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3054	18.25
2	A	3099	2983	23.60
3	A	3091	2975	42.32
4	A	3055	2941	59.02
5	A	3049	2935	21.86
6	A	3040	2926	38.53
7	A	3032	2919	9.20
8	A	3011	2899	42.46
9	A	2996	2884	53.84
10	A	2993	2881	36.38
11	A	1715	1650	3.44
12	A	1511	1454	1.64
13	A	1494	1438	5.45
14	A	1489	1433	3.86
15	A	1486	1431	0.82
16	A	1481	1425	8.03
17	A	1417	1364	1.77
18	A	1364	1313	1.61
19	A	1329	1280	1.66
20	A	1320	1271	2.05
21	A	1293	1245	1.13
22	A	1249	1203	1.42
23	A	1233	1187	1.46
24	A	1172	1128	1.23
25	A	1160	1116	1.02
26	A	1093	1052	1.29
27	A	1038	999	3.39
28	A	1030	991	6.22
29	A	1025	986	3.44
30	A	938	903	2.23
31	A	914	880	0.43
32	A	901	867	1.13
33	A	875	843	0.27
34	A	836	805	8.54
35	A	804	774	7.19
36	A	663	638	1.40
37	A	582	560	0.04
38	A	446	429	4.03
39	A	321	309	0.63
40	A	242	233	2.39
41	A	181	174	0.67
42	A	126	122	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.757	0.072	-0.000
H2	-0.347	2.170	-0.073
C3	0.022	1.154	-0.023
H4	-2.651	-0.451	0.857
H5	-2.603	-0.559	-0.892
H6	-2.680	1.027	-0.113
C7	-2.249	0.029	-0.040
H8	-0.024	-1.597	1.139
H9	-0.250	-1.976	-0.555
C10	0.075	-1.186	0.127
H11	1.751	-0.896	-1.208
H12	2.265	-1.225	0.439
C13	1.514	-0.708	-0.160
H14	1.868	1.072	1.083
H15	2.110	1.365	-0.626
C16	1.488	0.818	0.087

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1389	1.3329	2.1444	2.1459	2.1506	1.4937	2.1501	2.1816	1.5136	2.9470	3.3173	2.4065	3.0108	3.2060	2.3668
H2	2.1389		1.0828	3.6119	3.6351	2.5991	2.8649	3.9709	4.1753	3.3886	3.8846	4.3136	3.4285	2.7294	2.6433	2.2846
C3	1.3329	1.0828		3.2398	3.2535	2.7073	2.5350	2.9866	3.1862	2.3450	2.9314	3.3011	2.3895	2.1535	2.1828	1.5073
H4	2.1444	3.6119	3.2398		1.7533	1.7681	1.0941	2.8802	3.1758	2.9161	4.8830	4.9941	4.2954	4.7746	5.3068	4.3972
H5	2.1459	3.6351	3.2535	1.7533		1.7687	1.0938	3.4434	2.7674	2.9334	4.3791	5.0907	4.1851	5.1538	5.0979	4.4266
H6	2.1506	2.5991	2.7073	1.7681	1.7687		1.0899	3.9384	3.8882	3.5420	4.9532	5.4616	4.5395	4.7038	4.8292	4.1783
C7	1.4937	2.8649	2.5350	1.0941	1.0938	1.0899		2.9977	2.8773	2.6275	4.2686	4.7092	3.8367	4.3939	4.5966	3.8217
H8	2.1501	3.9709	2.9866	2.8802	3.4434	3.9384	2.9977		1.7508	1.0967	3.0254	2.4226	2.2010	3.2728	4.0552	3.0378
H9	2.1816	4.1753	3.1862	3.1758	2.7674	3.8882	2.8773	1.7508		1.0934	2.3662	2.8068	2.2085	4.0575	4.0912	3.3526
C10	1.5136	3.3886	2.3450	2.9161	2.9334	3.5420	2.6275	1.0967	1.0934		2.1628	2.2125	1.5437	3.0381	3.3492	2.4526
H11	2.9470	3.8846	2.9314	4.8830	4.3791	4.9532	4.2686	3.0254	2.3662	2.1628		1.7560	1.0910	3.0224	2.3621	2.1641
H12	3.3173	4.3136	3.3011	4.9941	5.0907	5.4616	4.7092	2.4226	2.8068	2.2125	1.7560		1.0901	2.4181	2.8044	2.2137
C13	2.4065	3.4285	2.3895	4.2954	4.1851	4.5395	3.8367	2.2010	2.2085	1.5437	1.0910	1.0901		2.1997	2.2068	1.5461
H14	3.0108	2.7294	2.1535	4.7746	5.1538	4.7038	4.3939	3.2728	4.0575	3.0381	3.0224	2.4181	2.1997		1.7505	1.0963
H15	3.2060	2.6433	2.1828	5.3068	5.0979	4.8292	4.5966	4.0552	4.0912	3.3492	2.3621	2.8044	2.2068	1.7505		1.0926
C16	2.3668	2.2846	1.5073	4.3972	4.4266	4.1783	3.8217	3.0378	3.3526	2.4526	2.1641	2.2137	1.5461	1.0963	1.0926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.280	C1	C3	C16	112.734
C1	C7	H4	110.975	C1	C7	H5	111.116
C1	C7	H6	111.733	C1	C10	H8	109.887
C1	C10	H9	112.627	C1	C10	C13	103.831
H2	C3	C16	122.942	C3	C1	C7	127.396
C3	C1	C10	110.782	C3	C16	C13	102.984
C3	C16	H14	110.609	C3	C16	H15	113.226
H4	C7	H5	106.523	H4	C7	H6	108.109
H5	C7	H6	108.178	C7	C1	C10	121.787
H8	C10	H9	106.152	H8	C10	C13	111.820
H9	C10	C13	112.634	C10	C13	H11	109.139
C10	C13	H12	113.157	C10	C13	C16	105.077
H11	C13	H12	107.236	H11	C13	C16	109.073
H12	C13	C16	113.079	C13	C16	H14	111.569
C13	C16	H15	112.373	H14	C16	H15	106.208

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: B3LYP/Def2TZVPP

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	C	-0.017
2	H	0.096
3	C	-0.160
4	H	0.084
5	H	0.086
6	H	0.080
7	C	-0.248
8	H	0.065
9	H	0.062
10	C	-0.092
11	H	0.070
12	H	0.068
13	C	-0.145
14	H	0.064
15	H	0.063
16	C	-0.077

	x	y	z	Total
	-0.128	-0.208	0.065	0.253
CHELPG
AIM
ESP

	x	y	z
x	12.113	0.835	0.041
y	0.835	10.994	-0.075
z	0.041	-0.075	8.164

<r²>	170.590
(<r²>)^1/2	13.061

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)