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	hartrees
Energy at 0K	-234.484119
Energy at 298.15K	-234.495062
HF Energy	-234.484119
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3087	40.69
2	A	3122	3061	14.41
3	A	3060	3000	75.03
4	A	3055	2995	16.68
5	A	3054	2994	37.90
6	A	3012	2953	55.79
7	A	2993	2934	29.42
8	A	2981	2923	34.51
9	A	2954	2896	56.15
10	A	2922	2865	42.15
11	A	1656	1623	1.39
12	A	1504	1474	3.35
13	A	1500	1470	3.24
14	A	1498	1469	0.89
15	A	1482	1453	0.50
16	A	1407	1380	1.02
17	A	1373	1346	3.20
18	A	1328	1302	2.20
19	A	1313	1287	2.35
20	A	1302	1277	2.62
21	A	1284	1259	1.11
22	A	1214	1190	0.77
23	A	1188	1165	0.46
24	A	1129	1107	0.70
25	A	1105	1084	3.25
26	A	1093	1071	4.06
27	A	1055	1034	1.17
28	A	988	968	1.23
29	A	962	943	1.36
30	A	936	917	0.69
31	A	929	911	0.64
32	A	898	881	2.67
33	A	845	829	1.26
34	A	814	798	1.41
35	A	747	732	0.72
36	A	719	705	26.53
37	A	576	564	4.76
38	A	488	478	2.49
39	A	338	332	0.03
40	A	280	275	0.13
41	A	237	233	0.04
42	A	108	105	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-0.304	2.223	0.111
C2	0.099	1.208	0.097
H3	2.173	1.589	-0.389
C4	1.374	0.882	-0.163
H5	2.156	-0.837	0.895
H6	2.215	-1.023	-0.861
C7	1.609	-0.609	-0.039
H8	0.063	-2.063	0.637
H9	-0.119	-1.489	-1.031
C10	0.166	-1.183	-0.012
H11	-0.908	-0.042	1.522
C12	-0.752	-0.004	0.426
H13	-2.744	0.842	0.082
H14	-2.684	-0.934	-0.006
H15	-2.028	0.046	-1.341
C16	-2.133	-0.013	-0.247

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0918	2.6055	2.1658	4.0042	4.2221	3.4213	4.3341	3.8879	3.4403	2.7363	2.2939	2.8045	3.9559	3.1334	2.9105
C2	1.0918		2.1647	1.3420	3.0092	3.2209	2.3672	3.3161	2.9314	2.3945	2.1469	1.5178	2.8666	3.5138	2.8178	2.5667
H3	2.6055	2.1647		1.0913	2.7455	2.6553	2.2971	4.3416	3.8913	3.4432	3.9766	3.4301	4.9965	5.4874	4.5758	4.5966
C4	2.1658	1.3420	1.0913		2.1642	2.1960	1.5145	3.3213	2.9330	2.3965	2.9837	2.3779	4.1260	4.4489	3.6961	3.6202
H5	4.0042	3.0092	2.7455	2.1642		1.7660	1.1056	2.4396	3.0510	2.2139	3.2280	3.0617	5.2436	4.9246	4.8257	4.5143
H6	4.2221	3.2209	2.6553	2.1960	1.7660		1.1017	2.8203	2.3857	2.2229	4.0491	3.3908	5.3811	4.9735	4.4016	4.5052
C7	3.4213	2.3672	2.2971	1.5145	1.1056	1.1017		2.2272	2.1780	1.5527	3.0160	2.4816	4.5903	4.3055	3.9184	3.7947
H8	4.3341	3.3161	4.3416	3.3213	2.4396	2.8203	2.2272		1.7733	1.0987	2.4112	2.2245	4.0776	3.0389	3.5687	3.1316
H9	3.8879	2.9314	3.8913	2.9330	3.0510	2.3857	2.1780	1.7733		1.1014	3.0389	2.1743	3.6824	2.8172	2.4692	2.6169
C10	3.4403	2.3945	3.4432	2.3965	2.2139	2.2229	1.5527	1.0987	1.1014		2.1932	1.5571	3.5465	2.8612	2.8447	2.5903
H11	2.7363	2.1469	3.9766	2.9837	3.2280	4.0491	3.0160	2.4112	3.0389	2.1932		1.1077	2.4950	2.5072	3.0755	2.1515
C12	2.2939	1.5178	3.4301	2.3779	3.0617	3.3908	2.4816	2.2245	2.1743	1.5571	1.1077		2.1913	2.1872	2.1801	1.5357
H13	2.8045	2.8666	4.9965	4.1260	5.2436	5.3811	4.5903	4.0776	3.6824	3.5465	2.4950	2.1913		1.7791	1.7804	1.1008
H14	3.9559	3.5138	5.4874	4.4489	4.9246	4.9735	4.3055	3.0389	2.8172	2.8612	2.5072	2.1872	1.7791		1.7816	1.1007
H15	3.1334	2.8178	4.5758	3.6961	4.8257	4.4016	3.9184	3.5687	2.4692	2.8447	3.0755	2.1801	1.7804	1.7816		1.1008
C16	2.9105	2.5667	4.5966	3.6202	4.5143	4.5052	3.7947	3.1316	2.6169	2.5903	2.1515	1.5357	1.1008	1.1007	1.1008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.297	H1	C2	C12	122.345
C2	C4	H3	125.260	C2	C4	C7	111.741
C2	C12	C10	102.279	C2	C12	H11	108.594
C2	C12	C16	114.512	H3	C4	C7	122.941
C4	C2	C12	112.333	C4	C7	H5	110.354
C4	C7	H6	113.264	C4	C7	C10	102.747
H5	C7	H6	106.271	H5	C7	C10	111.656
H6	C7	C10	112.668	C7	C10	H8	113.303
C7	C10	H9	108.970	C7	C10	C12	105.897
H8	C10	H9	107.315	H8	C10	C12	112.788
H9	C10	C12	108.448	C10	C12	H11	109.530
C10	C12	C16	113.878	H11	C12	C16	107.850
C12	C16	H13	111.489	C12	C16	H14	111.160
C12	C16	H15	110.412	H13	C16	H14	107.747
H13	C16	H15	107.890	H14	C16	H15	107.999

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: B97D3/6-31G*

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	0.123
2	C	-0.100
3	H	0.126
4	C	-0.120
5	H	0.147
6	H	0.144
7	C	-0.312
8	H	0.137
9	H	0.144
10	C	-0.290
11	H	0.137
12	C	-0.115
13	H	0.145
14	H	0.146
15	H	0.149
16	C	-0.461

	x	y	z	Total
	0.000	-0.131	0.114	0.174
CHELPG
AIM
ESP

	x	y	z
x	11.113	-0.347	-0.515
y	-0.347	9.056	-0.116
z	-0.515	-0.116	6.965

<r²>	165.665
(<r²>)^1/2	12.871

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)