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	hartrees
Energy at 0K	-231.722797
Energy at 298.15K	-231.734240
Nuclear repulsion energy	234.794547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3391	3061	21.98
2	A	3359	3032	6.03
3	A	3279	2959	49.64
4	A	3255	2938	29.36
5	A	3245	2929	58.11
6	A	3243	2928	12.34
7	A	3224	2910	15.44
8	A	3201	2889	38.60
9	A	3193	2882	21.00
10	A	3188	2877	29.61
11	A	1827	1649	0.26
12	A	1671	1509	5.32
13	A	1669	1506	4.11
14	A	1662	1500	2.41
15	A	1644	1484	1.70
16	A	1571	1418	4.67
17	A	1511	1363	6.64
18	A	1473	1329	2.30
19	A	1464	1321	0.86
20	A	1448	1307	5.04
21	A	1443	1302	0.85
22	A	1358	1226	1.34
23	A	1333	1203	0.51
24	A	1262	1139	0.44
25	A	1235	1115	2.97
26	A	1217	1098	10.50
27	A	1133	1022	0.13
28	A	1128	1018	1.59
29	A	1077	972	0.75
30	A	1040	938	2.53
31	A	993	897	0.89
32	A	936	844	3.43
33	A	911	823	3.74
34	A	877	792	4.53
35	A	836	754	44.88
36	A	827	746	1.38
37	A	649	586	6.46
38	A	536	484	2.41
39	A	370	334	0.14
40	A	304	274	0.15
41	A	260	235	0.06
42	A	96	86	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	-0.299	2.199	0.148
C2	0.100	1.204	0.121
H3	2.122	1.593	-0.405
C4	1.348	0.893	-0.163
H5	2.187	-0.833	0.819
H6	2.147	-0.985	-0.928
C7	1.606	-0.604	-0.070
H8	0.104	-2.031	0.704
H9	-0.141	-1.533	-0.963
C10	0.165	-1.196	0.020
H11	-0.933	-0.046	1.524
C12	-0.755	-0.010	0.453
H13	-2.716	0.835	0.029
H14	-2.661	-0.918	-0.067
H15	-1.950	0.056	-1.350
C16	-2.108	-0.010	-0.279

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0720	2.5565	2.1251	3.9782	4.1569	3.3965	4.2857	3.8972	3.4289	2.7082	2.2762	2.7778	3.9170	3.0921	2.8862
C2	1.0720		2.1251	1.3173	2.9991	3.1757	2.3616	3.2879	2.9544	2.4034	2.1443	1.5219	2.8416	3.4879	2.7723	2.5511
H3	2.5565	2.1251		1.0713	2.7181	2.6307	2.2812	4.2938	3.8990	3.4330	3.9670	3.4032	4.9163	5.4128	4.4538	4.5248
C4	2.1251	1.3173	1.0713		2.1558	2.1796	1.5219	3.2939	2.9566	2.4072	2.9880	2.3700	4.0689	4.4003	3.6035	3.5734
H5	3.9782	2.9991	2.7181	2.1558		1.7540	1.0858	2.4056	3.0136	2.2035	3.2938	3.0767	5.2385	4.9288	4.7546	4.5086
H6	4.1569	3.1757	2.6307	2.1796	1.7540		1.0834	2.8163	2.3522	2.2065	4.0471	3.3582	5.2796	4.8848	4.2478	4.4128
C7	3.3965	2.3616	2.2812	1.5219	1.0858	1.0834		2.2123	2.1711	1.5605	3.0496	2.4905	4.5567	4.2792	3.8370	3.7673
H8	4.2857	3.2879	4.2938	3.2939	2.4056	2.8163	2.2123		1.7572	1.0816	2.3853	2.2104	4.0767	3.0785	3.5767	3.1536
H9	3.8972	2.9544	3.8990	2.9566	3.0136	2.3522	2.1711	1.7572		1.0835	3.0045	2.1684	3.6365	2.7449	2.4388	2.5805
C10	3.4289	2.4034	3.4330	2.4072	2.2035	2.2065	1.5605	1.0816	1.0835		2.1890	1.5622	3.5249	2.8414	2.8139	2.5815
H11	2.7082	2.1443	3.9670	2.9880	3.2938	4.0471	3.0496	2.3853	3.0045	2.1890		1.0866	2.4878	2.5060	3.0506	2.1527
C12	2.2762	1.5219	3.4032	2.3700	3.0767	3.3582	2.4905	2.2104	2.1684	1.5622	1.0866		2.1767	2.1744	2.1638	1.5381
H13	2.7778	2.8416	4.9163	4.0689	5.2385	5.2796	4.5567	4.0767	3.6365	3.5249	2.4878	2.1767		1.7564	1.7596	1.0852
H14	3.9170	3.4879	5.4128	4.4003	4.9288	4.8848	4.2792	3.0785	2.7449	2.8414	2.5060	2.1744	1.7564		1.7612	1.0851
H15	3.0921	2.7723	4.4538	3.6035	4.7546	4.2478	3.8370	3.5767	2.4388	2.8139	3.0506	2.1638	1.7596	1.7612		1.0843
C16	2.8862	2.5511	4.5248	3.5734	4.5086	4.4128	3.7673	3.1536	2.5805	2.5815	2.1527	1.5381	1.0852	1.0851	1.0843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.291	H1	C2	C12	121.718
C2	C4	H3	125.356	C2	C4	C7	112.365
C2	C12	C10	102.381	C2	C12	H11	109.444
C2	C12	C16	112.955	H3	C4	C7	122.253
C4	C2	C12	112.976	C4	C7	H5	110.401
C4	C7	H6	112.479	C4	C7	C10	102.689
H5	C7	H6	107.915	H5	C7	C10	111.487
H6	C7	C10	111.875	C7	C10	H8	112.456
C7	C10	H9	109.065	C7	C10	C12	105.792
H8	C10	H9	108.512	H8	C10	C12	112.176
H9	C10	C12	108.739	C10	C12	H11	110.163
C10	C12	C16	112.744	H11	C12	C16	108.992
C12	C16	H13	110.968	C12	C16	H14	110.790
C12	C16	H15	109.998	H13	C16	H14	108.054
H13	C16	H15	108.401	H14	C16	H15	108.550

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: HF/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	CHELPG
1	H	0.222	0.161
2	C	-0.183	-0.358
3	H	0.222	0.144
4	C	-0.224	-0.226
5	H	0.219	-0.004
6	H	0.214	-0.001
7	C	-0.447	0.124
8	H	0.210	0.014
9	H	0.217	0.036
10	C	-0.391	-0.148
11	H	0.226	-0.070
12	C	-0.325	0.473
13	H	0.196	0.096
14	H	0.199	0.082
15	H	0.202	0.100
16	C	-0.557	-0.422

	x	y	z	Total
	-0.009	-0.111	0.066	0.130
CHELPG	-0.002	-0.066	0.042	0.078
AIM
ESP

	x	y	z
x	10.159	-0.426	-0.640
y	-0.426	7.966	-0.067
z	-0.640	-0.067	6.210

<r²>	164.566
(<r²>)^1/2	12.828

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)