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	hartrees
Energy at 0K	-233.099159
Energy at 298.15K	-233.110666
HF Energy	-233.099159
Nuclear repulsion energy	236.130895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3343	3030	29.37
2	A	3316	3005	11.87
3	A	3209	2909	103.02
4	A	3205	2905	45.43
5	A	3189	2890	22.72
6	A	3182	2884	51.50
7	A	3151	2856	44.09
8	A	3150	2855	24.98
9	A	3136	2843	55.55
10	A	3135	2841	14.89
11	A	1819	1649	5.13
12	A	1622	1470	2.67
13	A	1615	1464	0.94
14	A	1614	1463	4.05
15	A	1611	1460	2.36
16	A	1538	1394	3.12
17	A	1505	1364	3.04
18	A	1497	1357	1.31
19	A	1457	1321	3.01
20	A	1427	1293	0.18
21	A	1417	1284	4.38
22	A	1344	1218	0.61
23	A	1271	1152	0.72
24	A	1247	1130	1.74
25	A	1223	1108	0.39
26	A	1198	1086	5.82
27	A	1141	1034	2.93
28	A	1095	992	0.43
29	A	1060	961	5.89
30	A	1030	934	1.96
31	A	1009	914	6.10
32	A	986	894	2.18
33	A	971	880	3.45
34	A	874	792	1.22
35	A	833	755	0.65
36	A	777	704	43.88
37	A	614	556	3.12
38	A	456	413	0.78
39	A	429	389	0.02
40	A	335	304	0.03
41	A	268	243	0.00
42	A	115	104	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-2.430	-1.268	-0.123
C2	-1.551	-0.656	-0.061
H3	-2.430	1.268	-0.123
C4	-1.551	0.656	-0.061
H5	0.132	-1.601	-0.989
H6	-0.048	-2.040	0.686
C7	-0.154	-1.217	-0.012
H8	-0.048	2.040	0.686
H9	0.132	1.601	-0.989
C10	-0.154	1.217	-0.012
H11	0.768	0.000	1.470
C12	0.705	0.000	0.387
H13	2.672	-0.875	0.141
H14	2.672	0.875	0.141
H15	2.101	0.000	-1.265
C16	2.118	0.000	-0.180

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0724	2.5360	2.1164	2.7245	2.6312	2.2791	4.1557	3.9426	3.3717	3.7908	3.4195	5.1237	5.5398	4.8416	4.7215
C2	1.0724		2.1164	1.3127	2.1414	2.1752	1.5063	3.1761	2.9647	2.3377	2.8553	2.3916	4.2336	4.4966	3.9011	3.7291
H3	2.5360	2.1164		1.0724	3.9426	4.1558	3.3717	2.6311	2.7245	2.2791	3.7908	3.4195	5.5398	5.1238	4.8416	4.7215
C4	2.1164	1.3127	1.0724		2.9647	3.1761	2.3377	2.1752	2.1414	1.5063	2.8553	2.3916	4.4966	4.2336	3.9011	3.7291
H5	2.7245	2.1414	3.9426	2.9647		1.7406	1.0878	4.0120	3.2024	2.9966	3.0026	2.1875	2.8738	3.7231	2.5532	2.6764
H6	2.6312	2.1752	4.1558	3.1761	1.7406		1.0841	4.0802	4.0120	3.3330	2.3330	2.1950	3.0087	4.0238	3.5474	3.0987
C7	2.2791	1.5063	3.3717	2.3377	1.0878	1.0841		3.3330	2.9966	2.4346	2.1280	1.5422	2.8508	3.5194	2.8523	2.5828
H8	4.1557	3.1761	2.6311	2.1752	4.0120	4.0802	3.3330		1.7406	1.0841	2.3330	2.1950	4.0238	3.0087	3.5474	3.0987
H9	3.9426	2.9647	2.7245	2.1414	3.2024	4.0120	2.9966	1.7406		1.0878	3.0026	2.1875	3.7231	2.8738	2.5532	2.6764
C10	3.3717	2.3377	2.2791	1.5063	2.9966	3.3330	2.4346	1.0841	1.0878		2.1280	1.5422	3.5194	2.8508	2.8523	2.5828
H11	3.7908	2.8553	3.7908	2.8553	3.0026	2.3330	2.1280	2.3330	3.0026	2.1280		1.0850	2.4811	2.4811	3.0421	2.1318
C12	3.4195	2.3916	3.4195	2.3916	2.1875	2.1950	1.5422	2.1950	2.1875	1.5422	1.0850		2.1669	2.1669	2.1626	1.5226
H13	5.1237	4.2336	5.5398	4.4966	2.8738	3.0087	2.8508	4.0238	3.7231	3.5194	2.4811	2.1669		1.7496	1.7514	1.0843
H14	5.5398	4.4966	5.1238	4.2336	3.7231	4.0238	3.5194	3.0087	2.8738	2.8508	2.4811	2.1669	1.7496		1.7514	1.0843
H15	4.8416	3.9011	4.8416	3.9011	2.5532	3.5474	2.8523	3.5474	2.5532	2.8523	3.0421	2.1626	1.7514	1.7514		1.0845
C16	4.7215	3.7291	4.7215	3.7291	2.6764	3.0987	2.5828	3.0987	2.6764	2.5828	2.1318	1.5226	1.0843	1.0843	1.0845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.772	H1	C2	C7	123.332
C2	C4	H3	124.773	C2	C4	C10	111.863
C2	C7	H5	110.234	C2	C7	H6	113.215
C2	C7	C12	103.349	H3	C4	C10	123.332
C4	C2	C7	111.863	C4	C10	H8	113.214
C4	C10	H9	110.235	C4	C10	C12	103.349
H5	C7	H6	106.533	H5	C7	C12	111.389
H6	C7	C12	112.218	C7	C12	C10	104.247
C7	C12	H11	106.901	C7	C12	C16	114.864
H8	C10	H9	106.533	H8	C10	C12	112.218
H9	C10	C12	111.390	C10	C12	H11	106.901
C10	C12	C16	114.864	H11	C12	C16	108.514
C12	C16	H13	111.345	C12	C16	H14	111.345
C12	C16	H15	110.977	H13	C16	H14	107.571
H13	C16	H15	107.712	H14	C16	H15	107.712

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

using model chemistry: HF/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	H	0.079
2	C	-0.151
3	H	0.079
4	C	-0.151
5	H	0.038
6	H	0.046
7	C	-0.036
8	H	0.046
9	H	0.038
10	C	-0.036
11	H	0.016
12	C	0.089
13	H	0.061
14	H	0.061
15	H	0.043
16	C	-0.222

	x	y	z	Total
	0.207	0.000	0.027	0.209
CHELPG
AIM
ESP

	x	y	z
x	10.285	0.000	0.032
y	0.000	10.791	0.000
z	0.032	0.000	7.838

<r²>	163.357
(<r²>)^1/2	12.781

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

using model chemistry: HF/Def2TZVPP

States and conformations

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