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	hartrees
Energy at 0K	-234.449477
Energy at 298.15K	-234.460617
HF Energy	-234.449477
Nuclear repulsion energy	235.826126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3086	21.33
2	A	3184	3060	7.18
3	A	3112	2991	45.29
4	A	3111	2990	34.81
5	A	3108	2987	14.18
6	A	3076	2956	34.94
7	A	3048	2930	27.70
8	A	3037	2918	25.33
9	A	3021	2903	40.34
10	A	2988	2872	27.33
11	A	1696	1630	1.65
12	A	1495	1437	4.53
13	A	1492	1434	5.52
14	A	1491	1433	4.35
15	A	1476	1419	2.00
16	A	1406	1351	2.85
17	A	1392	1338	7.24
18	A	1342	1290	0.64
19	A	1330	1278	0.45
20	A	1314	1262	2.83
21	A	1300	1249	1.22
22	A	1233	1185	0.83
23	A	1206	1159	0.38
24	A	1149	1104	0.80
25	A	1123	1079	4.98
26	A	1110	1066	4.40
27	A	1076	1034	3.19
28	A	1011	972	2.27
29	A	985	946	0.09
30	A	970	932	2.49
31	A	956	918	1.00
32	A	922	886	3.57
33	A	865	831	2.58
34	A	831	799	1.22
35	A	765	735	1.85
36	A	744	715	34.42
37	A	588	565	4.58
38	A	500	480	2.58
39	A	343	330	0.04
40	A	288	276	0.13
41	A	237	228	0.03
42	A	120	116	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.268	2.173	-0.112
C2	0.113	1.182	0.007
H3	2.183	1.517	-0.399
C4	1.397	0.839	-0.143
H5	1.778	-0.779	1.181
H6	2.339	-1.111	-0.488
C7	1.573	-0.621	0.115
H8	-0.079	-2.143	0.134
H9	0.039	-1.076	-1.290
C10	0.155	-1.130	-0.205
H11	-0.696	-0.103	1.480
C12	-0.711	-0.007	0.385
H13	-2.714	0.832	0.300
H14	-2.659	-0.931	0.158
H15	-2.161	0.082	-1.207
C16	-2.153	-0.005	-0.119

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0689	2.5541	2.1340	3.8173	4.2100	3.3539	4.3273	3.4699	3.3317	2.8105	2.2797	2.8194	3.9271	3.0254	2.8802
C2	1.0689		2.1363	1.3375	2.8271	3.2335	2.3222	3.3327	2.6049	2.3221	2.1153	1.4951	2.8634	3.4884	2.8025	2.5608
H3	2.5541	2.1363		1.0691	2.8158	2.6339	2.2817	4.3356	3.4806	3.3405	3.8007	3.3637	4.9940	5.4544	4.6461	4.6039
C4	2.1340	1.3375	1.0691		2.1251	2.1927	1.4930	3.3390	2.6124	2.3290	2.8115	2.3322	4.1347	4.4356	3.7900	3.6488
H5	3.8173	2.8271	2.8158	2.1251		1.7914	1.0965	2.5308	3.0354	2.1627	2.5819	2.7243	4.8525	4.5559	4.6861	4.2118
H6	4.2100	3.2335	2.6339	2.1927	1.7914		1.0910	2.7017	2.4355	2.2022	3.7548	3.3588	5.4704	5.0429	4.7108	4.6404
C7	3.3539	2.3222	2.2817	1.4930	1.0965	1.0910		2.2466	2.1291	1.5404	2.6981	2.3803	4.5302	4.2438	4.0234	3.7836
H8	4.3273	3.3327	4.3356	3.3390	2.5308	2.7017	2.2466		1.7831	1.0934	2.5204	2.2414	3.9774	2.8509	3.3296	2.9892
H9	3.4699	2.6049	3.4806	2.6124	3.0354	2.4355	2.1291	1.7831		1.0923	3.0263	2.1240	3.7077	3.0660	2.4884	2.7060
C10	3.3317	2.3221	3.3405	2.3290	2.1627	2.2022	1.5404	1.0934	1.0923		2.1489	1.5360	3.5122	2.8446	2.8000	2.5689
H11	2.8105	2.1153	3.8007	2.8115	2.5819	3.7548	2.6981	2.5204	3.0263	2.1489		1.0990	2.5178	2.5070	3.0660	2.1655
C12	2.2797	1.4951	3.3637	2.3322	2.7243	3.3588	2.3803	2.2414	2.1240	1.5360	1.0990		2.1734	2.1679	2.1556	1.5276
H13	2.8194	2.8634	4.9940	4.1347	4.8525	5.4704	4.5302	3.9774	3.7077	3.5122	2.5178	2.1734		1.7689	1.7710	1.0913
H14	3.9271	3.4884	5.4544	4.4356	4.5559	5.0429	4.2438	2.8509	3.0660	2.8446	2.5070	2.1679	1.7689		1.7713	1.0909
H15	3.0254	2.8025	4.6461	3.7900	4.6861	4.7108	4.0234	3.3296	2.4884	2.8000	3.0660	2.1556	1.7710	1.7713		1.0910
C16	2.8802	2.5608	4.6039	3.6488	4.2118	4.6404	3.7836	2.9892	2.7060	2.5689	2.1655	1.5276	1.0913	1.0909	1.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.578	H1	C2	C12	124.698
C2	C4	H3	124.791	C2	C4	C7	110.133
C2	C12	C10	99.998	C2	C12	H11	108.297
C2	C12	C16	115.811	H3	C4	C7	125.070
C4	C2	C12	110.719	C4	C7	H5	109.346
C4	C7	H6	115.227	C4	C7	C10	100.300
H5	C7	H6	109.959	H5	C7	C10	109.041
H6	C7	C10	112.504	C7	C10	H8	116.044
C7	C10	H9	106.703	C7	C10	C12	101.380
H8	C10	H9	109.341	H8	C10	C12	115.933
H9	C10	C12	106.604	C10	C12	H11	108.134
C10	C12	C16	113.967	H11	C12	C16	109.994
C12	C16	H13	111.077	C12	C16	H14	110.665
C12	C16	H15	109.679	H13	C16	H14	108.316
H13	C16	H15	108.490	H14	C16	H15	108.545

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.110
2	C	-0.156
3	H	0.117
4	C	-0.153
5	H	0.087
6	H	0.088
7	C	-0.143
8	H	0.086
9	H	0.080
10	C	-0.160
11	H	0.086
12	C	-0.026
13	H	0.094
14	H	0.096
15	H	0.090
16	C	-0.297

	x	y	z	Total
	-0.003	-0.179	0.161	0.241
CHELPG
AIM
ESP

	x	y	z
x	12.126	-0.324	-0.353
y	-0.324	9.928	-0.055
z	-0.353	-0.055	8.032

<r²>	163.523
(<r²>)^1/2	12.788

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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