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	hartrees
Energy at 0K	-234.587039
Energy at 298.15K	-234.598167
Nuclear repulsion energy	235.319434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3079	30.76
2	A	3222	3055	9.09
3	A	3144	2982	25.89
4	A	3141	2979	46.57
5	A	3103	2943	36.09
6	A	3098	2938	34.40
7	A	3066	2908	37.91
8	A	3063	2905	8.92
9	A	3034	2877	37.07
10	A	3034	2877	31.61
11	A	1723	1634	2.61
12	A	1535	1455	7.62
13	A	1531	1451	2.56
14	A	1525	1446	0.33
15	A	1517	1438	1.27
16	A	1441	1367	3.55
17	A	1400	1328	3.63
18	A	1399	1327	0.32
19	A	1359	1289	2.44
20	A	1328	1260	0.12
21	A	1314	1247	3.45
22	A	1258	1192	0.42
23	A	1192	1130	0.00
24	A	1169	1108	2.50
25	A	1148	1089	0.24
26	A	1129	1070	0.52
27	A	1087	1031	1.81
28	A	1010	957	9.38
29	A	1002	950	0.43
30	A	979	929	0.00
31	A	945	897	5.10
32	A	942	893	4.00
33	A	920	873	0.01
34	A	840	797	1.31
35	A	783	743	0.47
36	A	713	676	34.65
37	A	576	546	3.83
38	A	424	402	1.19
39	A	398	378	0.09
40	A	314	298	0.09
41	A	255	242	0.01
42	A	106	100	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	2.435	1.292	-0.130
C2	1.550	0.667	-0.060
H3	2.435	-1.291	-0.130
C4	1.550	-0.667	-0.060
H5	-0.142	1.609	-1.000
H6	0.040	2.057	0.690
C7	0.153	1.223	-0.012
H8	0.039	-2.058	0.689
H9	-0.141	-1.609	-1.000
C10	0.153	-1.223	-0.012
H11	-0.767	-0.000	1.486
C12	-0.703	-0.000	0.390
H13	-2.674	0.884	0.140
H14	-2.674	-0.884	0.140
H15	-2.089	0.000	-1.277
C16	-2.113	0.000	-0.181

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0855	2.5830	2.1499	2.7376	2.6448	2.2859	4.1985	3.9754	3.3978	3.8120	3.4325	5.1321	5.5591	4.8420	4.7274
C2	1.0855		2.1499	1.3333	2.1525	2.1857	1.5046	3.2040	2.9869	2.3507	2.8639	2.3919	4.2342	4.5039	3.8945	3.7247
H3	2.5830	2.1499		1.0855	3.9761	4.1981	3.3978	2.6451	2.7377	2.2861	3.8119	3.4325	5.5592	5.1322	4.8424	4.7276
C4	2.1499	1.3333	1.0855		2.9875	3.2037	2.3507	2.1859	2.1524	1.5047	2.8639	2.3919	4.5040	4.2343	3.8947	3.7248
H5	2.7376	2.1525	3.9761	2.9875		1.7578	1.1008	4.0415	3.2178	3.0142	3.0264	2.1993	2.8702	3.7317	2.5412	2.6729
H6	2.6448	2.1857	4.1981	3.2037	1.7578		1.0961	4.1152	4.0411	3.3569	2.3489	2.2078	3.0076	4.0396	3.5543	3.1024
C7	2.2859	1.5046	3.3978	2.3507	1.1008	1.0961		3.3571	3.0138	2.4465	2.1415	1.5460	2.8513	3.5290	2.8499	2.5802
H8	4.1985	3.2040	2.6451	2.1859	4.0415	4.1152	3.3571		1.7578	1.0961	2.3492	2.2078	4.0395	3.0073	3.5541	3.1023
H9	3.9754	2.9869	2.7377	2.1524	3.2178	4.0411	3.0138	1.7578		1.1008	3.0265	2.1992	3.7317	2.8704	2.5413	2.6729
C10	3.3978	2.3507	2.2861	1.5047	3.0142	3.3569	2.4465	1.0961	1.1008		2.1414	1.5459	3.5289	2.8512	2.8500	2.5801
H11	3.8120	2.8639	3.8119	2.8639	3.0264	2.3489	2.1415	2.3492	3.0265	2.1414		1.0973	2.4958	2.4959	3.0625	2.1422
C12	3.4325	2.3919	3.4325	2.3919	2.1993	2.2078	1.5460	2.2078	2.1992	1.5459	1.0973		2.1749	2.1749	2.1683	1.5214
H13	5.1321	4.2342	5.5592	4.5040	2.8702	3.0076	2.8513	4.0395	3.7317	3.5289	2.4958	2.1749		1.7674	1.7690	1.0950
H14	5.5591	4.5039	5.1322	4.2343	3.7317	4.0396	3.5290	3.0073	2.8704	2.8512	2.4959	2.1749	1.7674		1.7690	1.0950
H15	4.8420	3.8945	4.8424	3.8947	2.5412	3.5543	2.8499	3.5541	2.5413	2.8500	3.0625	2.1683	1.7690	1.7690		1.0959
C16	4.7274	3.7247	4.7276	3.7248	2.6729	3.1024	2.5802	3.1023	2.6729	2.5801	2.1422	1.5214	1.0950	1.0950	1.0959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.147	H1	C2	C7	123.084
C2	C4	H3	125.147	C2	C4	C10	111.706
C2	C7	H5	110.459	C2	C7	H6	113.437
C2	C7	C12	103.261	H3	C4	C10	123.093
C4	C2	C7	111.716	C4	C10	H8	113.450
C4	C10	H9	110.437	C4	C10	C12	103.261
H5	C7	H6	106.282	H5	C7	C12	111.277
H6	C7	C12	112.238	C7	C12	C10	104.604
C7	C12	H11	106.992	C7	C12	C16	114.524
H8	C10	H9	106.282	H8	C10	C12	112.251
H9	C10	C12	111.271	C10	C12	H11	106.996
C10	C12	C16	114.526	H11	C12	C16	108.698
C12	C16	H13	111.413	C12	C16	H14	111.413
C12	C16	H15	110.831	H13	C16	H14	107.610
H13	C16	H15	107.697	H14	C16	H15	107.698

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

using model chemistry: mPW1PW91/6-31G*

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	0.158
2	C	-0.143
3	H	0.158
4	C	-0.143
5	H	0.170
6	H	0.169
7	C	-0.359
8	H	0.169
9	H	0.170
10	C	-0.359
11	H	0.169
12	C	-0.140
13	H	0.170
14	H	0.170
15	H	0.167
16	C	-0.525

	x	y	z	Total
	-0.158	0.000	0.015	0.159
CHELPG
AIM
ESP

<r²>	163.293
(<r²>)^1/2	12.779

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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