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	hartrees
Energy at 0K	-234.360611
Energy at 298.15K	-234.371354
Nuclear repulsion energy	232.511482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3101	3069	25.30
2	A	3042	3011	27.28
3	A	3032	3001	48.22
4	A	2993	2962	71.01
5	A	2992	2961	23.48
6	A	2979	2948	42.84
7	A	2970	2940	9.25
8	A	2948	2917	47.32
9	A	2927	2897	61.45
10	A	2926	2895	42.11
11	A	1672	1655	2.61
12	A	1470	1455	2.43
13	A	1458	1443	9.77
14	A	1451	1436	2.08
15	A	1447	1432	6.64
16	A	1445	1430	4.69
17	A	1376	1362	3.17
18	A	1322	1308	1.81
19	A	1292	1278	1.06
20	A	1285	1271	2.31
21	A	1245	1232	1.90
22	A	1218	1205	1.49
23	A	1202	1189	1.27
24	A	1145	1133	0.79
25	A	1128	1116	1.29
26	A	1056	1045	0.35
27	A	1022	1012	2.20
28	A	1000	990	7.03
29	A	990	980	5.51
30	A	923	914	2.06
31	A	901	892	0.90
32	A	881	872	0.30
33	A	858	849	0.39
34	A	807	799	2.23
35	A	775	767	13.80
36	A	636	630	1.86
37	A	566	560	0.11
38	A	429	424	4.18
39	A	310	307	0.61
40	A	235	233	2.65
41	A	175	173	0.72
42	A	137	135	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.760	0.074	-0.003
H2	-0.334	2.192	-0.073
C3	0.032	1.161	-0.025
H4	-2.666	-0.451	0.863
H5	-2.620	-0.559	-0.899
H6	-2.693	1.040	-0.113
C7	-2.255	0.033	-0.041
H8	-0.027	-1.598	1.158
H9	-0.263	-1.994	-0.547
C10	0.070	-1.190	0.133
H11	1.743	-0.899	-1.228
H12	2.273	-1.243	0.427
C13	1.512	-0.714	-0.166
H14	1.878	1.065	1.101
H15	2.133	1.369	-0.620
C16	1.497	0.815	0.091

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1611	1.3449	2.1584	2.1592	2.1639	1.4963	2.1638	2.1954	1.5181	2.9517	3.3347	2.4107	3.0267	3.2296	2.3771
H2	2.1611		1.0947	3.6465	3.6702	2.6253	2.8895	3.9966	4.2130	3.4115	3.8992	4.3412	3.4441	2.7462	2.6582	2.2967
C3	1.3449	1.0947		3.2658	3.2790	2.7290	2.5499	3.0029	3.2114	2.3561	2.9361	3.3179	2.3934	2.1648	2.1943	1.5098
H4	2.1584	3.6465	3.2658		1.7658	1.7825	1.1047	2.8929	3.1849	2.9270	4.9001	5.0214	4.3115	4.7966	5.3431	4.4190
H5	2.1592	3.6702	3.2790	1.7658		1.7829	1.1045	3.4692	2.7821	2.9495	4.3881	5.1155	4.1995	5.1835	5.1370	4.4511
H6	2.1639	2.6253	2.7290	1.7825	1.7829		1.1001	3.9606	3.9116	3.5593	4.9680	5.4927	4.5570	4.7300	4.8643	4.2009
C7	1.4963	2.8895	2.5499	1.1047	1.1045	1.1001		3.0109	2.8873	2.6333	4.2736	4.7282	3.8432	4.4107	4.6240	3.8348
H8	2.1638	3.9966	3.0029	2.8929	3.4692	3.9606	3.0109		1.7658	1.1082	3.0520	2.4395	2.2150	3.2752	4.0785	3.0470
H9	2.1954	4.2130	3.2114	3.1849	2.7821	3.9116	2.8873	1.7658		1.1043	2.3842	2.8184	2.2213	4.0811	4.1302	3.3753
C10	1.5181	3.4115	2.3561	2.9270	2.9495	3.5593	2.6333	1.1082	1.1043		2.1754	2.2231	1.5476	3.0478	3.3719	2.4605
H11	2.9517	3.8992	2.9361	4.9001	4.3881	4.9680	4.2736	3.0520	2.3842	2.1754		1.7719	1.1021	3.0498	2.3812	2.1772
H12	3.3347	4.3412	3.3179	5.0214	5.1155	5.4927	4.7282	2.4395	2.8184	2.2231	1.7719		1.1005	2.4366	2.8176	2.2251
C13	2.4107	3.4441	2.3934	4.3115	4.1995	4.5570	3.8432	2.2150	2.2213	1.5476	1.1021	1.1005		2.2147	2.2205	1.5506
H14	3.0267	2.7462	2.1648	4.7966	5.1835	4.7300	4.4107	3.2752	4.0811	3.0478	3.0498	2.4366	2.2147		1.7655	1.1079
H15	3.2296	2.6582	2.1943	5.3431	5.1370	4.8643	4.6240	4.0785	4.1302	3.3719	2.3812	2.8176	2.2205	1.7655		1.1035
C16	2.3771	2.2967	1.5098	4.4190	4.4511	4.2009	3.8348	3.0470	3.3753	2.4605	2.1772	2.2251	1.5506	1.1079	1.1035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.390	C1	C3	C16	112.623
C1	C7	H4	111.269	C1	C7	H5	111.354
C1	C7	H6	112.000	C1	C10	H8	109.972
C1	C10	H9	112.735	C1	C10	C13	103.691
H2	C3	C16	122.925	C3	C1	C7	127.572
C3	C1	C10	110.621	C3	C16	C13	102.890
C3	C16	H14	110.641	C3	C16	H15	113.288
H4	C7	H5	106.126	H4	C7	H6	107.887
H5	C7	H6	107.941	C7	C1	C10	121.758
H8	C10	H9	105.896	H8	C10	C13	111.966
H9	C10	C13	112.708	C10	C13	H11	109.220
C10	C13	H12	113.090	C10	C13	C16	105.155
H11	C13	H12	107.118	H11	C13	C16	109.153
H12	C13	C16	113.040	C13	C16	H14	111.749
C13	C16	H15	112.484	H14	C16	H15	105.941

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

using model chemistry: PBEPBE/6-311G*

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	0.110
2	H	0.171
3	C	-0.181
4	H	0.222
5	H	0.223
6	H	0.222
7	C	-0.708
8	H	0.213
9	H	0.213
10	C	-0.467
11	H	0.220
12	H	0.212
13	C	-0.436
14	H	0.214
15	H	0.214
16	C	-0.442

	x	y	z	Total
	-0.146	-0.178	0.061	0.238
CHELPG
AIM
ESP

	x	y	z
x	11.766	0.877	0.085
y	0.877	10.602	-0.106
z	0.085	-0.106	7.528

<r²>	171.608
(<r²>)^1/2	13.100

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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