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	hartrees
Energy at 0K	-234.354990
Energy at 298.15K	-234.365930
Nuclear repulsion energy	234.037449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3124	3092	38.49
2	A	3099	3066	12.62
3	A	3029	2998	30.91
4	A	3026	2995	57.80
5	A	2989	2958	35.74
6	A	2983	2952	43.82
7	A	2959	2928	43.83
8	A	2952	2921	9.29
9	A	2918	2888	45.69
10	A	2918	2887	30.43
11	A	1636	1619	3.26
12	A	1471	1456	9.52
13	A	1466	1451	3.89
14	A	1455	1440	1.21
15	A	1447	1432	3.33
16	A	1372	1358	5.14
17	A	1335	1321	0.37
18	A	1331	1317	4.59
19	A	1296	1282	1.47
20	A	1268	1255	0.68
21	A	1253	1240	4.16
22	A	1207	1194	0.28
23	A	1139	1127	0.08
24	A	1123	1112	2.44
25	A	1100	1088	0.29
26	A	1083	1072	0.42
27	A	1041	1030	2.03
28	A	968	958	10.34
29	A	966	956	0.52
30	A	918	909	0.02
31	A	906	896	5.53
32	A	905	896	5.17
33	A	882	873	0.04
34	A	808	799	1.51
35	A	759	751	0.61
36	A	673	666	40.69
37	A	559	553	4.75
38	A	411	407	1.22
39	A	385	381	0.12
40	A	306	303	0.06
41	A	249	246	0.02
42	A	99	98	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	2.449	1.299	-0.139
C2	1.557	0.671	-0.062
H3	2.449	-1.299	-0.139
C4	1.557	-0.671	-0.062
H5	-0.145	1.623	-1.000
H6	0.043	2.069	0.699
C7	0.155	1.229	-0.008
H8	0.043	-2.069	0.699
H9	-0.145	-1.623	-1.000
C10	0.155	-1.229	-0.008
H11	-0.777	-0.000	1.496
C12	-0.708	-0.000	0.393
H13	-2.691	0.888	0.134
H14	-2.691	-0.888	0.134
H15	-2.097	-0.000	-1.288
C16	-2.122	-0.000	-0.185

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0938	2.5984	2.1638	2.7526	2.6617	2.2990	4.2234	4.0013	3.4165	3.8426	3.4554	5.1636	5.5928	4.8654	4.7522
C2	1.0938		2.1638	1.3415	2.1642	2.1973	1.5103	3.2217	3.0063	2.3619	2.8853	2.4061	4.2581	4.5293	3.9118	3.7417
H3	2.5984	2.1638		1.0938	4.0013	4.2234	3.4166	2.6617	2.7526	2.2990	3.8426	3.4554	5.5928	5.1636	4.8654	4.7523
C4	2.1638	1.3415	1.0938		3.0064	3.2217	2.3619	2.1973	2.1642	1.5103	2.8853	2.4061	4.5293	4.2581	3.9118	3.7417
H5	2.7526	2.1642	4.0013	3.0064		1.7671	1.1090	4.0687	3.2459	3.0347	3.0440	2.2120	2.8822	3.7515	2.5545	2.6844
H6	2.6617	2.1973	4.2234	3.2217	1.7671		1.1036	4.1381	4.0687	3.3750	2.3638	2.2223	3.0311	4.0669	3.5788	3.1224
C7	2.2990	1.5103	3.4166	2.3619	1.1090	1.1036		3.3750	3.0347	2.4583	2.1543	1.5546	2.8697	3.5500	2.8669	2.5935
H8	4.2234	3.2217	2.6617	2.1973	4.0687	4.1381	3.3750		1.7671	1.1036	2.3638	2.2223	4.0669	3.0311	3.5788	3.1224
H9	4.0013	3.0063	2.7526	2.1642	3.2459	4.0687	3.0347	1.7671		1.1090	3.0440	2.2120	3.7515	2.8822	2.5545	2.6844
C10	3.4165	2.3619	2.2990	1.5103	3.0347	3.3750	2.4583	1.1036	1.1090		2.1543	1.5546	3.5500	2.8697	2.8669	2.5935
H11	3.8426	2.8853	3.8426	2.8853	3.0440	2.3638	2.1543	2.3638	3.0440	2.1543		1.1053	2.5122	2.5122	3.0816	2.1537
C12	3.4554	2.4061	3.4554	2.4061	2.2120	2.2223	1.5546	2.2223	2.2120	1.5546	1.1053		2.1880	2.1880	2.1804	1.5274
H13	5.1636	4.2581	5.5928	4.5293	2.8822	3.0311	2.8697	4.0669	3.7515	3.5500	2.5122	2.1880		1.7766	1.7788	1.1021
H14	5.5928	4.5293	5.1636	4.2581	3.7515	4.0669	3.5500	3.0311	2.8822	2.8697	2.5122	2.1880	1.7766		1.7788	1.1021
H15	4.8654	3.9118	4.8654	3.9118	2.5545	3.5788	2.8669	3.5788	2.5545	2.8669	3.0816	2.1804	1.7788	1.7788		1.1031
C16	4.7522	3.7417	4.7523	3.7417	2.6844	3.1224	2.5935	3.1224	2.6844	2.5935	2.1537	1.5274	1.1021	1.1021	1.1031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.068	H1	C2	C7	123.176
C2	C4	H3	125.068	C2	C4	C10	111.699
C2	C7	H5	110.498	C2	C7	H6	113.497
C2	C7	C12	103.443	H3	C4	C10	123.176
C4	C2	C7	111.699	C4	C10	H8	113.496
C4	C10	H9	110.499	C4	C10	C12	103.442
H5	C7	H6	106.002	H5	C7	C12	111.190
H6	C7	C12	112.336	C7	C12	C10	104.494
C7	C12	H11	106.963	C7	C12	C16	114.593
H8	C10	H9	106.002	H8	C10	C12	112.335
H9	C10	C12	111.190	C10	C12	H11	106.963
C10	C12	C16	114.593	H11	C12	C16	108.718
C12	C16	H13	111.606	C12	C16	H14	111.606
C12	C16	H15	110.941	H13	C16	H14	107.414
H13	C16	H15	107.531	H14	C16	H15	107.531

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-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	H	0.181
2	C	-0.164
3	H	0.181
4	C	-0.164
5	H	0.212
6	H	0.215
7	C	-0.433
8	H	0.215
9	H	0.212
10	C	-0.433
11	H	0.215
12	C	-0.246
13	H	0.216
14	H	0.216
15	H	0.210
16	C	-0.632

	x	y	z	Total
	-0.174	0.000	0.027	0.176
CHELPG
AIM
ESP

	x	y	z
x	10.689	0.000	-0.030
y	0.000	10.980	0.000
z	-0.030	0.000	7.540

<r²>	165.485
(<r²>)^1/2	12.864

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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