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	hartrees
Energy at 0K	-234.734824
Energy at 298.15K	-234.745941
HF Energy	-234.734824
Nuclear repulsion energy	235.100945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3076	26.46
2	A	3171	3053	8.34
3	A	3081	2966	28.46
4	A	3081	2965	54.61
5	A	3050	2936	28.26
6	A	3044	2931	40.46
7	A	3021	2908	40.57
8	A	3015	2902	6.73
9	A	2989	2877	42.32
10	A	2988	2876	22.54
11	A	1679	1616	4.50
12	A	1504	1447	7.08
13	A	1499	1443	2.60
14	A	1496	1440	0.65
15	A	1489	1434	2.77
16	A	1415	1362	2.86
17	A	1380	1328	0.61
18	A	1375	1323	4.89
19	A	1335	1285	0.81
20	A	1312	1263	0.39
21	A	1300	1252	4.90
22	A	1239	1193	0.39
23	A	1171	1127	0.31
24	A	1150	1107	2.01
25	A	1135	1092	0.26
26	A	1109	1068	2.00
27	A	1065	1026	2.46
28	A	992	955	7.15
29	A	980	944	0.74
30	A	977	941	0.84
31	A	936	901	5.55
32	A	923	888	4.87
33	A	907	873	1.11
34	A	818	788	1.07
35	A	781	751	0.56
36	A	706	680	38.56
37	A	579	558	3.88
38	A	424	409	0.88
39	A	399	384	0.06
40	A	317	305	0.05
41	A	252	243	0.00
42	A	99	95	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-2.439	-1.285	-0.135
C2	-1.554	-0.665	-0.065
H3	-2.439	1.285	-0.135
C4	-1.554	0.665	-0.065
H5	0.140	-1.615	-0.987
H6	-0.050	-2.053	0.699
C7	-0.155	-1.224	-0.005
H8	-0.050	2.053	0.699
H9	0.140	1.615	-0.987
C10	-0.155	1.224	-0.005
H11	0.778	0.000	1.482
C12	0.708	0.000	0.390
H13	2.683	-0.881	0.131
H14	2.683	0.881	0.131
H15	2.093	0.000	-1.278
C16	2.121	0.000	-0.186

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0819	2.5690	2.1417	2.7360	2.6444	2.2876	4.1880	3.9730	3.3946	3.8222	3.4392	5.1444	5.5669	4.8473	4.7375
C2	1.0819		2.1417	1.3298	2.1508	2.1848	1.5078	3.1988	2.9869	2.3514	2.8762	2.4018	4.2475	4.5148	3.9015	3.7372
H3	2.5690	2.1417		1.0819	3.9730	4.1880	3.3946	2.6444	2.7360	2.2876	3.8222	3.4392	5.5669	5.1444	4.8473	4.7375
C4	2.1417	1.3298	1.0819		2.9870	3.1988	2.3514	2.1848	2.1508	1.5078	2.8762	2.4018	4.5148	4.2475	3.9015	3.7372
H5	2.7360	2.1508	3.9730	2.9870		1.7523	1.0972	4.0413	3.2304	3.0188	3.0181	2.1972	2.8732	3.7344	2.5511	2.6783
H6	2.6444	2.1848	4.1880	3.1988	1.7523		1.0927	4.1052	4.0413	3.3533	2.3474	2.2098	3.0272	4.0491	3.5661	3.1160
C7	2.2876	1.5078	3.3946	2.3514	1.0972	1.0927		3.3533	3.0188	2.4483	2.1403	1.5495	2.8625	3.5365	2.8594	2.5912
H8	4.1880	3.1988	2.6444	2.1848	4.0413	4.1052	3.3533		1.7523	1.0927	2.3473	2.2098	4.0491	3.0272	3.5661	3.1160
H9	3.9730	2.9869	2.7360	2.1508	3.2304	4.0413	3.0188	1.7523		1.0972	3.0181	2.1972	3.7344	2.8732	2.5511	2.6783
C10	3.3946	2.3514	2.2876	1.5078	3.0188	3.3533	2.4483	1.0927	1.0972		2.1403	1.5495	3.5365	2.8625	2.8594	2.5912
H11	3.8222	2.8762	3.8222	2.8762	3.0181	2.3474	2.1403	2.3473	3.0181	2.1403		1.0938	2.4959	2.4959	3.0575	2.1416
C12	3.4392	2.4018	3.4392	2.4018	2.1972	2.2098	1.5495	2.2098	2.1972	1.5495	1.0938		2.1777	2.1777	2.1685	1.5259
H13	5.1444	4.2475	5.5669	4.5148	2.8732	3.0272	2.8625	4.0491	3.7344	3.5365	2.4959	2.1777		1.7615	1.7637	1.0919
H14	5.5669	4.5148	5.1444	4.2475	3.7344	4.0491	3.5365	3.0272	2.8732	2.8625	2.4959	2.1777	1.7615		1.7637	1.0919
H15	4.8473	3.9015	4.8473	3.9015	2.5511	3.5661	2.8594	3.5661	2.5511	2.8594	3.0575	2.1685	1.7637	1.7637		1.0925
C16	4.7375	3.7372	4.7375	3.7372	2.6783	3.1160	2.5912	3.1160	2.6783	2.5912	2.1416	1.5259	1.0919	1.0919	1.0925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.937	H1	C2	C7	123.255
C2	C4	H3	124.937	C2	C4	C10	111.772
C2	C7	H5	110.317	C2	C7	H6	113.349
C2	C7	C12	103.543	H3	C4	C10	123.255
C4	C2	C7	111.772	C4	C10	H8	113.348
C4	C10	H9	110.317	C4	C10	C12	103.542
H5	C7	H6	106.295	H5	C7	C12	111.078
H6	C7	C12	112.360	C7	C12	C10	104.377
C7	C12	H11	106.868	C7	C12	C16	114.816
H8	C10	H9	106.295	H8	C10	C12	112.360
H9	C10	C12	111.079	C10	C12	H11	106.868
C10	C12	C16	114.815	H11	C12	C16	108.547
C12	C16	H13	111.510	C12	C16	H14	111.511
C12	C16	H15	110.738	H13	C16	H14	107.532
H13	C16	H15	107.682	H14	C16	H15	107.682

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

using model chemistry: B3LYP/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	0.108
2	C	-0.165
3	H	0.108
4	C	-0.165
5	H	0.059
6	H	0.067
7	C	-0.093
8	H	0.067
9	H	0.059
10	C	-0.093
11	H	0.048
12	C	0.045
13	H	0.080
14	H	0.080
15	H	0.067
16	C	-0.275

	x	y	z	Total
	0.238	0.000	0.042	0.242
CHELPG
AIM
ESP

	x	y	z
x	11.138	0.000	0.033
y	0.000	11.309	0.000
z	0.033	0.000	8.230

<r²>	164.425
(<r²>)^1/2	12.823

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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