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	hartrees
Energy at 0K	-234.507175
Energy at 298.15K	-234.518276
Nuclear repulsion energy	235.849101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3246	3081	31.51
2	A	3221	3057	8.61
3	A	3147	2988	25.59
4	A	3144	2985	45.74
5	A	3107	2949	33.56
6	A	3102	2945	35.31
7	A	3069	2913	35.91
8	A	3066	2911	11.10
9	A	3033	2879	41.39
10	A	3033	2879	26.65
11	A	1727	1640	2.78
12	A	1530	1453	7.52
13	A	1526	1448	2.37
14	A	1521	1444	0.32
15	A	1512	1435	0.97
16	A	1435	1362	3.41
17	A	1397	1326	0.28
18	A	1397	1326	3.57
19	A	1357	1288	2.56
20	A	1322	1255	0.17
21	A	1308	1242	3.19
22	A	1253	1190	0.35
23	A	1190	1130	0.01
24	A	1164	1105	2.46
25	A	1145	1087	0.30
26	A	1126	1069	0.41
27	A	1086	1031	1.94
28	A	1008	956	9.59
29	A	1004	953	0.37
30	A	978	928	0.01
31	A	943	895	3.30
32	A	940	893	4.98
33	A	915	869	0.00
34	A	842	800	1.42
35	A	779	739	0.43
36	A	711	675	32.78
37	A	568	540	3.23
38	A	417	396	0.98
39	A	398	378	0.10
40	A	308	293	0.07
41	A	250	237	0.01
42	A	109	103	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	-2.433	1.291	0.108
C2	-1.548	0.666	0.050
H3	-2.433	-1.290	0.108
C4	-1.548	-0.666	0.050
H5	0.135	1.583	1.023
H6	-0.027	2.063	-0.659
C7	-0.152	1.218	0.025
H8	-0.027	-2.063	-0.659
H9	0.135	-1.583	1.023
C10	-0.152	-1.218	0.026
H11	0.746	-0.000	-1.481
C12	0.698	-0.000	-0.386
H13	2.669	0.883	-0.159
H14	2.669	-0.883	-0.159
H15	2.100	-0.000	1.262
C16	2.112	-0.000	0.167

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0846	2.5810	2.1478	2.7411	2.6406	2.2835	4.1980	3.9603	3.3914	3.7809	3.4219	5.1249	5.5517	4.8516	4.7245
C2	1.0846		2.1478	1.3314	2.1488	2.1839	1.5016	3.2037	2.9719	2.3448	2.8376	2.3827	4.2277	4.4971	3.9005	3.7216
H3	2.5810	2.1478		1.0846	3.9603	4.1980	3.3914	2.6405	2.7411	2.2835	3.7809	3.4219	5.5517	5.1249	4.8516	4.7245
C4	2.1478	1.3314	1.0846		2.9719	3.2037	2.3448	2.1839	2.1488	1.5016	2.8375	2.3827	4.4971	4.2277	3.9006	3.7216
H5	2.7411	2.1488	3.9603	2.9719		1.7562	1.0998	4.0183	3.1656	2.9868	3.0248	2.1927	2.8827	3.7281	2.5344	2.6732
H6	2.6406	2.1839	4.1980	3.2037	1.7562		1.0947	4.1265	4.0183	3.3542	2.3518	2.2037	2.9852	4.0244	3.5309	3.0843
C7	2.2835	1.5016	3.3914	2.3448	1.0998	1.0947		3.3541	2.9868	2.4360	2.1355	1.5411	2.8467	3.5219	2.8426	2.5744
H8	4.1980	3.2037	2.6405	2.1839	4.0183	4.1265	3.3541		1.7562	1.0947	2.3518	2.2037	4.0244	2.9852	3.5309	3.0843
H9	3.9603	2.9719	2.7411	2.1488	3.1656	4.0183	2.9868	1.7562		1.0998	3.0248	2.1927	3.7281	2.8828	2.5344	2.6733
C10	3.3914	2.3448	2.2835	1.5016	2.9868	3.3542	2.4360	1.0947	1.0998		2.1355	1.5411	3.5219	2.8467	2.8426	2.5744
H11	3.7809	2.8376	3.7809	2.8375	3.0248	2.3518	2.1355	2.3518	3.0248	2.1355		1.0960	2.4950	2.4950	3.0589	2.1408
C12	3.4219	2.3827	3.4219	2.3827	2.1927	2.2037	1.5411	2.2037	2.1927	1.5411	1.0960		2.1718	2.1718	2.1636	1.5185
H13	5.1249	4.2277	5.5517	4.4971	2.8827	2.9852	2.8467	4.0244	3.7281	3.5219	2.4950	2.1718		1.7654	1.7671	1.0937
H14	5.5517	4.4971	5.1249	4.2277	3.7281	4.0244	3.5219	2.9852	2.8828	2.8467	2.4950	2.1718	1.7654		1.7671	1.0937
H15	4.8516	3.9005	4.8516	3.9006	2.5344	3.5309	2.8426	3.5309	2.5344	2.8426	3.0589	2.1636	1.7671	1.7671		1.0946
C16	4.7245	3.7216	4.7245	3.7216	2.6732	3.0843	2.5744	3.0843	2.6733	2.5744	2.1408	1.5185	1.0937	1.0937	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.172	H1	C2	C7	123.191
C2	C4	H3	125.172	C2	C4	C10	111.580
C2	C7	H5	110.433	C2	C7	H6	113.606
C2	C7	C12	103.080	H3	C4	C10	123.190
C4	C2	C7	111.580	C4	C10	H8	113.603
C4	C10	H9	110.436	C4	C10	C12	103.079
H5	C7	H6	106.320	H5	C7	C12	111.157
H6	C7	C12	112.350	C7	C12	C10	104.434
C7	C12	H11	106.936	C7	C12	C16	114.575
H8	C10	H9	106.320	H8	C10	C12	112.348
H9	C10	C12	111.159	C10	C12	H11	106.936
C10	C12	C16	114.575	H11	C12	C16	108.859
C12	C16	H13	111.447	C12	C16	H14	111.447
C12	C16	H15	110.739	H13	C16	H14	107.620
H13	C16	H15	107.704	H14	C16	H15	107.704

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

using model chemistry: B1B95/6-31G*

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	0.148
2	C	-0.134
3	H	0.148
4	C	-0.134
5	H	0.161
6	H	0.160
7	C	-0.338
8	H	0.160
9	H	0.161
10	C	-0.338
11	H	0.162
12	C	-0.143
13	H	0.161
14	H	0.161
15	H	0.157
16	C	-0.493

	x	y	z	Total
	0.150	0.000	-0.014	0.151
CHELPG
AIM
ESP

	x	y	z
x	9.486	0.000	-0.029
y	0.000	9.977	0.000
z	-0.029	0.000	6.653

<r²>	162.709
(<r²>)^1/2	12.756

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

using model chemistry: B1B95/6-31G*

States and conformations

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