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	hartrees
Energy at 0K	-234.512982
Energy at 298.15K	-234.523892
Nuclear repulsion energy	234.228092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3060	19.89
2	A	3161	3000	21.82
3	A	3150	2990	39.85
4	A	3114	2956	23.51
5	A	3108	2950	55.00
6	A	3098	2941	32.66
7	A	3088	2932	8.72
8	A	3059	2904	40.58
9	A	3045	2890	52.62
10	A	3043	2889	34.34
11	A	1765	1675	2.45
12	A	1536	1458	0.75
13	A	1519	1442	6.50
14	A	1516	1439	0.61
15	A	1509	1432	1.03
16	A	1507	1431	8.43
17	A	1440	1367	1.61
18	A	1387	1316	1.34
19	A	1355	1286	0.63
20	A	1347	1279	2.38
21	A	1296	1231	1.74
22	A	1270	1205	1.26
23	A	1248	1184	1.28
24	A	1193	1133	0.81
25	A	1167	1108	1.45
26	A	1101	1045	0.31
27	A	1065	1011	2.11
28	A	1040	987	6.44
29	A	1034	981	5.79
30	A	960	912	1.48
31	A	938	890	0.55
32	A	914	868	0.24
33	A	890	845	0.46
34	A	845	802	4.33
35	A	814	773	8.57
36	A	649	617	1.62
37	A	577	548	0.14
38	A	443	420	3.12
39	A	314	298	0.53
40	A	244	232	2.07
41	A	180	171	0.62
42	A	147	139	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.753	0.072	-0.001
H2	-0.333	2.172	-0.077
C3	0.030	1.151	-0.025
H4	-2.650	-0.441	0.856
H5	-2.598	-0.560	-0.894
H6	-2.671	1.033	-0.124
C7	-2.242	0.032	-0.044
H8	-0.009	-1.572	1.165
H9	-0.259	-1.988	-0.520
C10	0.074	-1.181	0.141
H11	1.701	-0.873	-1.239
H12	2.266	-1.238	0.388
C13	1.499	-0.705	-0.178
H14	1.857	1.042	1.104
H15	2.123	1.363	-0.600
C16	1.487	0.808	0.097

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1436	1.3341	2.1442	2.1450	2.1491	1.4902	2.1482	2.1811	1.5083	2.9068	3.3142	2.3888	2.9959	3.2092	2.3601
H2	2.1436		1.0854	3.6153	3.6417	2.6012	2.8679	3.9582	4.1848	3.3856	3.8423	4.3134	3.4129	2.7334	2.6384	2.2817
C3	1.3341	1.0854		3.2402	3.2547	2.7062	2.5332	2.9718	3.1914	2.3389	2.8918	3.2980	2.3718	2.1500	2.1804	1.5014
H4	2.1442	3.6153	3.2402		1.7554	1.7701	1.0959	2.8901	3.1637	2.9126	4.8493	5.0031	4.2845	4.7516	5.3068	4.3881
H5	2.1450	3.6417	3.2547	1.7554		1.7709	1.0957	3.4599	2.7663	2.9327	4.3248	5.0762	4.1619	5.1389	5.1063	4.4206
H6	2.1491	2.6012	2.7062	1.7701	1.7709		1.0918	3.9415	3.8865	3.5373	4.8987	5.4589	4.5183	4.6918	4.8292	4.1703
C7	1.4902	2.8679	2.5332	1.0959	1.0957	1.0918		3.0038	2.8710	2.6217	4.2189	4.7039	3.8155	4.3750	4.5973	3.8116
H8	2.1482	3.9582	2.9718	2.8901	3.4599	3.9415	3.0038		1.7542	1.0988	3.0320	2.4274	2.1971	3.2119	4.0341	3.0069
H9	2.1811	4.1848	3.1914	3.1637	2.7663	3.8865	2.8710	1.7542		1.0953	2.3671	2.7866	2.2031	4.0371	4.1125	3.3537
C10	1.5083	3.3856	2.3389	2.9126	2.9327	3.5373	2.6217	1.0988	1.0953		2.1560	2.2067	1.5357	3.0081	3.3501	2.4404
H11	2.9068	3.8423	2.8918	4.8493	4.3248	4.8987	4.2189	3.0320	2.3671	2.1560		1.7602	1.0933	3.0300	2.3636	2.1574
H12	3.3142	4.3134	3.2980	5.0031	5.0762	5.4589	4.7039	2.4274	2.7866	2.2067	1.7602		1.0919	2.4246	2.7861	2.2084
C13	2.3888	3.4129	2.3718	4.2845	4.1619	4.5183	3.8155	2.1971	2.2031	1.5357	1.0933	1.0919		2.1963	2.2015	1.5377
H14	2.9959	2.7334	2.1500	4.7516	5.1389	4.6918	4.3750	3.2119	4.0371	3.0081	3.0300	2.4246	2.1963		1.7543	1.0985
H15	3.2092	2.6384	2.1804	5.3068	5.1063	4.8292	4.5973	4.0341	4.1125	3.3501	2.3636	2.7861	2.2015	1.7543		1.0946
C16	2.3601	2.2817	1.5014	4.3881	4.4206	4.1703	3.8116	3.0069	3.3537	2.4404	2.1574	2.2084	1.5377	1.0985	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.420	C1	C3	C16	112.543
C1	C7	H4	111.104	C1	C7	H5	111.180
C1	C7	H6	111.755	C1	C10	H8	109.974
C1	C10	H9	112.833	C1	C10	C13	103.392
H2	C3	C16	122.976	C3	C1	C7	127.429
C3	C1	C10	110.592	C3	C16	C13	102.595
C3	C16	H14	110.620	C3	C16	H15	113.334
H4	C7	H5	106.449	H4	C7	H6	108.022
H5	C7	H6	108.110	C7	C1	C10	121.929
H8	C10	H9	106.165	H8	C10	C13	111.946
H9	C10	C13	112.649	C10	C13	H11	109.019
C10	C13	H12	113.155	C10	C13	C16	105.125
H11	C13	H12	107.310	H11	C13	C16	108.992
H12	C13	C16	113.148	C13	C16	H14	111.759
C13	C16	H15	112.421	H14	C16	H15	106.245

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-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	C	0.132
2	H	0.139
3	C	-0.171
4	H	0.170
5	H	0.170
6	H	0.171
7	C	-0.551
8	H	0.162
9	H	0.157
10	C	-0.354
11	H	0.166
12	H	0.156
13	C	-0.326
14	H	0.163
15	H	0.159
16	C	-0.343

	x	y	z	Total
	-0.153	-0.177	0.059	0.241
CHELPG
AIM
ESP

	x	y	z
x	10.442	0.868	0.088
y	0.868	9.573	-0.110
z	0.088	-0.110	6.744

<r²>	168.795
(<r²>)^1/2	12.992

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

using model chemistry: B1B95/6-31G*

States and conformations

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