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	hartrees
Energy at 0K	-234.456726
Energy at 298.15K	-234.449522
HF Energy	-234.666686
Nuclear repulsion energy	233.054438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3069	19.56
2	A	3107	2998	22.30
3	A	3099	2990	40.98
4	A	3059	2952	63.15
5	A	3057	2950	18.08
6	A	3044	2938	35.03
7	A	3036	2930	10.74
8	A	3014	2908	41.54
9	A	2998	2893	52.05
10	A	2996	2891	37.56
11	A	1725	1665	2.44
12	A	1507	1455	0.33
13	A	1491	1439	3.52
14	A	1488	1436	1.87
15	A	1483	1431	0.21
16	A	1480	1428	6.43
17	A	1414	1364	0.47
18	A	1362	1315	0.82
19	A	1329	1283	0.37
20	A	1320	1274	3.16
21	A	1287	1242	0.75
22	A	1248	1204	1.91
23	A	1231	1188	1.08
24	A	1172	1131	1.25
25	A	1153	1113	1.01
26	A	1093	1054	0.61
27	A	1040	1004	3.14
28	A	1030	994	5.52
29	A	1026	990	3.78
30	A	939	906	1.27
31	A	916	884	0.36
32	A	900	869	0.73
33	A	875	844	0.39
34	A	840	811	5.42
35	A	804	776	4.63
36	A	657	634	1.37
37	A	579	559	0.13
38	A	446	430	2.24
39	A	317	306	0.56
40	A	242	233	1.46
41	A	185	178	0.53
42	A	128	124	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.757	0.075	-0.001
H2	-0.339	2.178	-0.068
C3	0.025	1.156	-0.022
H4	-2.658	-0.452	0.859
H5	-2.612	-0.554	-0.894
H6	-2.685	1.034	-0.107
C7	-2.252	0.032	-0.039
H8	-0.040	-1.617	1.131
H9	-0.255	-1.976	-0.572
C10	0.069	-1.191	0.122
H11	1.772	-0.914	-1.198
H12	2.258	-1.227	0.464
C13	1.516	-0.713	-0.153
H14	1.884	1.087	1.077
H15	2.112	1.363	-0.640
C16	1.493	0.820	0.084

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1450	1.3348	2.1518	2.1526	2.1561	1.4960	2.1586	2.1872	1.5166	2.9673	3.3174	2.4109	3.0265	3.2096	2.3720
H2	2.1450		1.0856	3.6268	3.6486	2.6104	2.8746	3.9910	4.1847	3.3984	3.9100	4.3152	3.4357	2.7276	2.6457	2.2852
C3	1.3348	1.0856		3.2500	3.2619	2.7146	2.5395	3.0042	3.1919	2.3517	2.9523	3.3018	2.3944	2.1600	2.1864	1.5094
H4	2.1518	3.6268	3.2500		1.7568	1.7733	1.0980	2.8781	3.1852	2.9196	4.9055	4.9926	4.3027	4.8000	5.3194	4.4102
H5	2.1526	3.6486	3.2619	1.7568		1.7739	1.0978	3.4420	2.7719	2.9373	4.4090	5.1009	4.1974	5.1757	5.1048	4.4381
H6	2.1561	2.6104	2.7146	1.7733	1.7739		1.0936	3.9447	3.8967	3.5482	4.9848	5.4661	4.5505	4.7200	4.8382	4.1881
C7	1.4960	2.8746	2.5395	1.0980	1.0978	1.0936		2.9972	2.8823	2.6287	4.2930	4.7099	3.8430	4.4113	4.6021	3.8290
H8	2.1586	3.9910	3.0042	2.8781	3.4420	3.9447	2.9972		1.7538	1.1004	3.0332	2.4250	2.2106	3.3190	4.0805	3.0640
H9	2.1872	4.1847	3.1919	3.1852	2.7719	3.8967	2.8823	1.7538		1.0971	2.3714	2.8193	2.2149	4.0828	4.0928	3.3615
C10	1.5166	3.3984	2.3517	2.9196	2.9373	3.5482	2.6287	1.1004	1.0971		2.1722	2.2160	1.5486	3.0644	3.3581	2.4643
H11	2.9673	3.9100	2.9523	4.9055	4.4090	4.9848	4.2930	3.0332	2.3714	2.1722		1.7594	1.0947	3.0313	2.3685	2.1740
H12	3.3174	4.3152	3.3018	4.9926	5.1009	5.4661	4.7099	2.4250	2.8193	2.2160	1.7594		1.0930	2.4229	2.8191	2.2183
C13	2.4109	3.4357	2.3944	4.3027	4.1974	4.5505	3.8430	2.2106	2.2149	1.5486	1.0947	1.0930		2.2103	2.2140	1.5513
H14	3.0265	2.7276	2.1600	4.8000	5.1757	4.7200	4.4113	3.3190	4.0828	3.0644	3.0313	2.4229	2.2103		1.7540	1.1000
H15	3.2096	2.6457	2.1864	5.3194	5.1048	4.8382	4.6021	4.0805	4.0928	3.3581	2.3685	2.8191	2.2140	1.7540		1.0963
C16	2.3720	2.2852	1.5094	4.4102	4.4381	4.1881	3.8290	3.0640	3.3615	2.4643	2.1740	2.2183	1.5513	1.1000	1.0963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.644	C1	C3	C16	112.852
C1	C7	H4	111.072	C1	C7	H5	111.122
C1	C7	H6	111.615	C1	C10	H8	110.084
C1	C10	H9	112.607	C1	C10	C13	103.571
H2	C3	C16	122.460	C3	C1	C7	127.499
C3	C1	C10	111.065	C3	C16	C13	102.823
C3	C16	H14	110.686	C3	C16	H15	113.063
H4	C7	H5	106.522	H4	C7	H6	108.118
H5	C7	H6	108.188	C7	C1	C10	121.402
H8	C10	H9	106.087	H8	C10	C13	112.023
H9	C10	C13	112.593	C10	C13	H11	109.279
C10	C13	H12	112.889	C10	C13	C16	105.401
H11	C13	H12	107.097	H11	C13	C16	109.241
H12	C13	C16	112.884	C13	C16	H14	111.832
C13	C16	H15	112.384	H14	C16	H15	106.191

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: G4

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	C	0.347
2	H	0.078
3	C	-0.156
4	H	0.122
5	H	0.122
6	H	0.120
7	C	-0.491
8	H	0.099
9	H	0.095
10	C	-0.287
11	H	0.103
12	H	0.094
13	C	-0.201
14	H	0.100
15	H	0.097
16	C	-0.242

	x	y	z	Total
	-0.154	-0.171	0.041	0.234
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	170.656
(<r²>)^1/2	13.064

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: G4

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)