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	hartrees
Energy at 0K	-234.495340
Energy at 298.15K	-234.506502
HF Energy	-234.165304
Nuclear repulsion energy	235.473041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3087	26.04
2	A	3193	3064	7.64
3	A	3109	2983	27.12
4	A	3109	2982	51.47
5	A	3080	2955	27.29
6	A	3075	2951	35.78
7	A	3042	2919	32.40
8	A	3039	2916	15.35
9	A	3015	2892	40.87
10	A	3013	2891	21.70
11	A	1671	1603	3.49
12	A	1515	1453	7.18
13	A	1511	1449	2.70
14	A	1505	1443	0.58
15	A	1497	1436	1.98
16	A	1421	1363	3.10
17	A	1385	1329	0.58
18	A	1382	1326	4.42
19	A	1343	1288	1.34
20	A	1315	1262	0.35
21	A	1302	1249	4.63
22	A	1248	1198	0.26
23	A	1176	1128	0.10
24	A	1157	1110	2.27
25	A	1137	1091	0.40
26	A	1117	1072	1.47
27	A	1076	1032	2.58
28	A	996	956	7.61
29	A	984	944	0.86
30	A	977	938	0.00
31	A	940	901	5.30
32	A	929	891	4.82
33	A	910	873	0.36
34	A	828	794	1.20
35	A	781	750	0.55
36	A	708	679	36.60
37	A	575	551	3.25
38	A	424	407	0.79
39	A	399	383	0.06
40	A	314	301	0.04
41	A	253	243	0.00
42	A	106	102	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-2.430	-1.286	-0.145
C2	-1.549	-0.666	-0.066
H3	-2.430	1.286	-0.145
C4	-1.549	0.666	-0.066
H5	0.149	-1.616	-0.982
H6	-0.050	-2.047	0.705
C7	-0.152	-1.224	-0.004
H8	-0.050	2.047	0.705
H9	0.149	1.616	-0.982
C10	-0.152	1.224	-0.004
H11	0.780	0.000	1.485
C12	0.705	-0.000	0.396
H13	2.670	-0.881	0.123
H14	2.670	0.881	0.123
H15	2.070	0.000	-1.281
C16	2.108	-0.000	-0.191

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0805	2.5718	2.1428	2.7311	2.6395	2.2832	4.1830	3.9714	3.3926	3.8235	3.4317	5.1229	5.5473	4.8165	4.7174
C2	1.0805		2.1428	1.3314	2.1503	2.1793	1.5055	3.1939	2.9879	2.3508	2.8766	2.3953	4.2282	4.4969	3.8754	3.7195
H3	2.5718	2.1428		1.0805	3.9714	4.1830	3.3926	2.6396	2.7311	2.2832	3.8235	3.4317	5.5473	5.1229	4.8164	4.7174
C4	2.1428	1.3314	1.0805		2.9878	3.1939	2.3508	2.1793	2.1503	1.5055	2.8766	2.3953	4.4969	4.2282	3.8754	3.7195
H5	2.7311	2.1503	3.9714	2.9878		1.7520	1.0956	4.0379	3.2324	3.0190	3.0161	2.1952	2.8490	3.7160	2.5287	2.6604
H6	2.6395	2.1793	4.1830	3.1939	1.7520		1.0909	4.0945	4.0379	3.3489	2.3430	2.2039	3.0159	4.0381	3.5541	3.1068
C7	2.2832	1.5055	3.3926	2.3508	1.0956	1.0909		3.3489	3.0190	2.4484	2.1414	1.5471	2.8454	3.5225	2.8408	2.5775
H8	4.1830	3.1939	2.6396	2.1793	4.0379	4.0945	3.3489		1.7520	1.0909	2.3430	2.2039	4.0381	3.0160	3.5541	3.1068
H9	3.9714	2.9879	2.7311	2.1503	3.2324	4.0379	3.0190	1.7520		1.0956	3.0161	2.1952	3.7160	2.8490	2.5287	2.6604
C10	3.3926	2.3508	2.2832	1.5055	3.0190	3.3489	2.4484	1.0909	1.0956		2.1414	1.5471	3.5225	2.8455	2.8408	2.5775
H11	3.8235	2.8766	3.8235	2.8766	3.0161	2.3430	2.1414	2.3430	3.0161	2.1414		1.0921	2.4901	2.4901	3.0526	2.1386
C12	3.4317	2.3953	3.4317	2.3953	2.1952	2.2039	1.5471	2.2039	2.1952	1.5471	1.0921		2.1699	2.1699	2.1625	1.5209
H13	5.1229	4.2282	5.5473	4.4969	2.8490	3.0159	2.8454	4.0381	3.7160	3.5225	2.4901	2.1699		1.7610	1.7626	1.0904
H14	5.5473	4.4969	5.1229	4.2282	3.7160	4.0381	3.5225	3.0160	2.8490	2.8455	2.4901	2.1699	1.7610		1.7626	1.0903
H15	4.8165	3.8754	4.8164	3.8754	2.5287	3.5541	2.8408	3.5541	2.5287	2.8408	3.0526	2.1625	1.7626	1.7626		1.0911
C16	4.7174	3.7195	4.7174	3.7195	2.6604	3.1068	2.5775	3.1068	2.6604	2.5775	2.1386	1.5209	1.0904	1.0903	1.0911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.029	H1	C2	C7	123.143
C2	C4	H3	125.029	C2	C4	C10	111.774
C2	C7	H5	110.529	C2	C7	H6	113.175
C2	C7	C12	103.371	H3	C4	C10	123.143
C4	C2	C7	111.774	C4	C10	H8	113.175
C4	C10	H9	110.529	C4	C10	C12	103.371
H5	C7	H6	106.505	H5	C7	C12	111.192
H6	C7	C12	112.168	C7	C12	C10	104.614
C7	C12	H11	107.207	C7	C12	C16	114.307
H8	C10	H9	106.505	H8	C10	C12	112.168
H9	C10	C12	111.192	C10	C12	H11	107.207
C10	C12	C16	114.307	H11	C12	C16	108.749
C12	C16	H13	111.332	C12	C16	H14	111.332
C12	C16	H15	110.692	H13	C16	H14	107.714
H13	C16	H15	107.805	H14	C16	H15	107.805

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

using model chemistry: B2PLYP/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	0.136
2	C	-0.177
3	H	0.136
4	C	-0.177
5	H	0.086
6	H	0.095
7	C	-0.155
8	H	0.095
9	H	0.086
10	C	-0.155
11	H	0.097
12	C	-0.036
13	H	0.099
14	H	0.099
15	H	0.089
16	C	-0.318

	x	y	z
x	10.810	0.000	0.025
y	0.000	10.958	0.000
z	0.025	0.000	7.839

<r²>	163.877
(<r²>)^1/2	12.801

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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