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	hartrees
Energy at 0K	-233.372625
Energy at 298.15K	-233.383494
Nuclear repulsion energy	231.786017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3092	14.73
2	A	3131	3021	34.58
3	A	3116	3007	19.10
4	A	3089	2981	46.85
5	A	3076	2968	21.29
6	A	3071	2963	27.29
7	A	3069	2961	2.44
8	A	3033	2927	42.85
9	A	3033	2927	47.35
10	A	3029	2923	11.81
11	A	1724	1664	1.64
12	A	1560	1505	0.84
13	A	1554	1499	9.01
14	A	1550	1496	9.60
15	A	1543	1489	0.37
16	A	1538	1484	1.56
17	A	1462	1410	2.85
18	A	1375	1327	2.87
19	A	1343	1296	4.35
20	A	1342	1295	1.97
21	A	1320	1274	0.44
22	A	1272	1227	1.58
23	A	1258	1213	1.23
24	A	1206	1164	1.57
25	A	1174	1133	1.72
26	A	1117	1078	0.47
27	A	1057	1020	5.47
28	A	1056	1019	7.26
29	A	1021	985	1.17
30	A	933	901	1.53
31	A	915	883	0.40
32	A	899	867	1.64
33	A	867	837	0.16
34	A	844	814	9.14
35	A	809	781	7.48
36	A	672	649	3.05
37	A	581	561	0.12
38	A	430	415	4.51
39	A	318	307	0.62
40	A	236	227	2.81
41	A	177	170	0.79
42	A	111	107	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	0.078	-0.001
H2	-0.344	2.185	-0.065
C3	0.019	1.164	-0.020
H4	-2.658	-0.454	0.869
H5	-2.614	-0.560	-0.895
H6	-2.695	1.033	-0.107
C7	-2.265	0.029	-0.036
H8	-0.045	-1.630	1.123
H9	-0.251	-1.965	-0.606
C10	0.067	-1.203	0.116
H11	1.799	-0.927	-1.186
H12	2.256	-1.218	0.505
C13	1.532	-0.720	-0.145
H14	1.891	1.098	1.072
H15	2.104	1.362	-0.667
C16	1.501	0.832	0.080

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1489	1.3373	2.1536	2.1538	2.1590	1.5046	2.1672	2.1908	1.5300	2.9948	3.3224	2.4324	3.0377	3.2091	2.3860
H2	2.1489		1.0842	3.6322	3.6576	2.6186	2.8880	4.0073	4.1860	3.4177	3.9409	4.3198	3.4589	2.7328	2.6513	2.2924
C3	1.3373	1.0842		3.2517	3.2664	2.7181	2.5501	3.0201	3.1948	2.3717	2.9834	3.3097	2.4199	2.1687	2.1919	1.5225
H4	2.1536	3.6322	3.2517		1.7682	1.7787	1.0988	2.8772	3.2020	2.9245	4.9308	4.9862	4.3190	4.8108	5.3224	4.4242
H5	2.1538	3.6576	3.2664	1.7682		1.7792	1.0985	3.4385	2.7648	2.9368	4.4380	5.1099	4.2164	5.1880	5.0991	4.4521
H6	2.1590	2.6186	2.7181	1.7787	1.7792		1.0946	3.9533	3.9000	3.5604	5.0201	5.4726	4.5760	4.7353	4.8423	4.2048
C7	1.5046	2.8880	2.5501	1.0988	1.0985	1.0946		3.0044	2.8906	2.6415	4.3302	4.7205	3.8713	4.4320	4.6105	3.8522
H8	2.1672	4.0073	3.0201	2.8772	3.4385	3.9533	3.0044		1.7730	1.0994	3.0375	2.4176	2.2185	3.3457	4.0953	3.0887
H9	2.1908	4.1860	3.1948	3.2020	2.7648	3.9000	2.8906	1.7730		1.0966	2.3700	2.8417	2.2225	4.0969	4.0759	3.3705
C10	1.5300	3.4177	2.3717	2.9245	2.9368	3.5604	2.6415	1.0994	1.0966		2.1847	2.2233	1.5646	3.0882	3.3675	2.4898
H11	2.9948	3.9409	2.9834	4.9308	4.4380	5.0201	4.3302	3.0375	2.3700	2.1847		1.7755	1.0944	3.0343	2.3661	2.1869
H12	3.3224	4.3198	3.3097	4.9862	5.1099	5.4726	4.7205	2.4176	2.8417	2.2233	1.7755		1.0928	2.4120	2.8371	2.2251
C13	2.4324	3.4589	2.4199	4.3190	4.2164	4.5760	3.8713	2.2185	2.2225	1.5646	1.0944	1.0928		2.2173	2.2210	1.5684
H14	3.0377	2.7328	2.1687	4.8108	5.1880	4.7353	4.4320	3.3457	4.0969	3.0882	3.0343	2.4120	2.2173		1.7716	1.0991
H15	3.2091	2.6513	2.1919	5.3224	5.0991	4.8423	4.6105	4.0953	4.0759	3.3675	2.3661	2.8371	2.2210	1.7716		1.0960
C16	2.3860	2.2924	1.5225	4.4242	4.4521	4.2048	3.8522	3.0887	3.3705	2.4898	2.1869	2.2251	1.5684	1.0991	1.0960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.779	C1	C3	C16	112.932
C1	C7	H4	110.658	C1	C7	H5	110.698
C1	C7	H6	111.354	C1	C10	H8	109.932
C1	C10	H9	111.985	C1	C10	C13	103.622
H2	C3	C16	122.254	C3	C1	C7	127.516
C3	C1	C10	111.436	C3	C16	C13	103.050
C3	C16	H14	110.597	C3	C16	H15	112.652
H4	C7	H5	107.171	H4	C7	H6	108.376
H5	C7	H6	108.446	C7	C1	C10	121.014
H8	C10	H9	107.679	H8	C10	C13	111.578
H9	C10	C13	112.067	C10	C13	H11	109.223
C10	C13	H12	112.365	C10	C13	C16	105.255
H11	C13	H12	108.543	H11	C13	C16	109.134
H12	C13	C16	112.233	C13	C16	H14	111.232
C13	C16	H15	111.716	H14	C16	H15	107.625

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

using model chemistry: B3LYP/3-21G

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	ESP
1	C	0.063	0.166
2	H	0.166	0.158
3	C	-0.171	-0.342
4	H	0.199	0.162
5	H	0.199	0.168
6	H	0.197	0.174
7	C	-0.612	-0.593
8	H	0.195	0.041
9	H	0.189	0.031
10	C	-0.411	0.002
11	H	0.198	0.083
12	H	0.186	0.071
13	C	-0.375	-0.238
14	H	0.196	0.038
15	H	0.191	0.033
16	C	-0.411	0.046

	x	y	z	Total
	-0.158	-0.187	0.055	0.250
CHELPG
AIM
ESP	-0.162	-0.200	0.060	0.264

	x	y	z
x	9.923	0.904	0.078
y	0.904	9.167	-0.096
z	0.078	-0.096	6.286

<r²>	172.248
(<r²>)^1/2	13.124

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

using model chemistry: B3LYP/3-21G

States and conformations

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