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	hartrees
Energy at 0K	-38.645066
Energy at 298.15K	-38.656350
Nuclear repulsion energy	126.172801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3327	3036	28.82
2	A	3237	2954	44.78
3	A	3231	2949	108.59
4	A	3199	2919	56.90
5	A	3193	2913	74.41
6	A	3185	2906	35.38
7	A	3166	2889	32.44
8	A	3139	2865	91.34
9	A	3135	2861	105.76
10	A	3131	2857	24.89
11	A	1835	1675	5.03
12	A	1653	1509	1.85
13	A	1638	1494	3.12
14	A	1630	1488	6.63
15	A	1629	1486	1.39
16	A	1622	1480	10.40
17	A	1559	1423	3.01
18	A	1489	1359	2.69
19	A	1460	1332	2.05
20	A	1441	1315	2.10
21	A	1412	1288	0.90
22	A	1359	1240	0.79
23	A	1343	1226	2.43
24	A	1274	1163	1.91
25	A	1261	1151	0.19
26	A	1205	1099	4.19
27	A	1140	1041	7.04
28	A	1122	1024	3.89
29	A	1121	1023	3.50
30	A	1009	921	3.94
31	A	990	903	0.94
32	A	972	887	3.78
33	A	932	851	4.01
34	A	917	837	14.78
35	A	873	796	4.69
36	A	716	654	1.54
37	A	618	564	0.05
38	A	479	437	5.99
39	A	342	312	0.55
40	A	256	234	3.88
41	A	180	164	0.49
42	A	130	118	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.756	0.088	0.003
H2	-0.334	2.188	-0.066
C3	0.027	1.175	-0.017
H4	-2.663	-0.446	0.852
H5	-2.613	-0.528	-0.898
H6	-2.693	1.037	-0.096
C7	-2.266	0.041	-0.037
H8	-0.034	-1.626	1.109
H9	-0.240	-1.949	-0.595
C10	0.077	-1.189	0.116
H11	1.807	-0.920	-1.176
H12	2.257	-1.206	0.491
C13	1.534	-0.707	-0.146
H14	1.908	1.108	1.055
H15	2.107	1.365	-0.661
C16	1.509	0.837	0.078

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1428	1.3396	2.1546	2.1544	2.1595	1.5110	2.1639	2.1852	1.5287	2.9963	3.3151	2.4286	3.0400	3.2041	2.3867
H2	2.1428		1.0765	3.6336	3.6418	2.6245	2.8875	4.0021	4.1717	3.4066	3.9342	4.3062	3.4462	2.7296	2.6438	2.2901
C3	1.3396	1.0765		3.2586	3.2630	2.7246	2.5575	3.0195	3.1882	2.3682	2.9836	3.3016	2.4144	2.1661	2.1855	1.5233
H4	2.1546	3.6336	3.2586		1.7518	1.7604	1.0890	2.8936	3.1980	2.9326	4.9317	4.9915	4.3220	4.8322	5.3216	4.4332
H5	2.1544	3.6418	3.2630	1.7518		1.7607	1.0888	3.4476	2.7831	2.9496	4.4470	5.1095	4.2187	5.1895	5.0911	4.4507
H6	2.1595	2.6245	2.7246	1.7604	1.7607		1.0854	3.9519	3.8972	3.5599	5.0252	5.4662	4.5731	4.7432	4.8440	4.2106
C7	1.5110	2.8875	2.5575	1.0890	1.0888	1.0854		3.0126	2.8946	2.6502	4.3371	4.7211	3.8741	4.4439	4.6106	3.8594
H8	2.1639	4.0021	3.0195	2.8936	3.4476	3.9519	3.0126		1.7468	1.0905	3.0179	2.4093	2.2085	3.3536	4.0818	3.0837
H9	2.1852	4.1717	3.1882	3.1980	2.7831	3.8972	2.8946	1.7468		1.0879	2.3634	2.8220	2.2113	4.0839	4.0610	3.3572
C10	1.5287	3.4066	2.3682	2.9326	2.9496	3.5599	2.6502	1.0905	1.0879		2.1763	2.2123	1.5572	3.0838	3.3538	2.4813
H11	2.9963	3.9342	2.9836	4.9317	4.4470	5.0252	4.3371	3.0179	2.3634	2.1763		1.7497	1.0865	3.0162	2.3613	2.1784
H12	3.3151	4.3062	3.3016	4.9915	5.1095	5.4662	4.7211	2.4093	2.8220	2.2123	1.7497		1.0852	2.4071	2.8215	2.2143
C13	2.4286	3.4462	2.4144	4.3220	4.2187	4.5731	3.8741	2.2085	2.2113	1.5572	1.0865	1.0852		2.2080	2.2105	1.5599
H14	3.0400	2.7296	2.1661	4.8322	5.1895	4.7432	4.4439	3.3536	4.0839	3.0838	3.0162	2.4071	2.2080		1.7466	1.0898
H15	3.2041	2.6438	2.1855	5.3216	5.0911	4.8440	4.6106	4.0818	4.0610	3.3538	2.3613	2.8215	2.2105	1.7466		1.0871
C16	2.3867	2.2901	1.5233	4.4332	4.4507	4.2106	3.8594	3.0837	3.3572	2.4813	2.1784	2.2143	1.5599	1.0898	1.0871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.614	C1	C3	C16	112.799
C1	C7	H4	110.893	C1	C7	H5	110.889
C1	C7	H6	111.507	C1	C10	H8	110.295
C1	C10	H9	112.159	C1	C10	C13	103.810
H2	C3	C16	122.566	C3	C1	C7	127.482
C3	C1	C10	111.141	C3	C16	C13	103.081
C3	C16	H14	110.882	C3	C16	H15	112.625
H4	C7	H5	107.106	H4	C7	H6	108.117
H5	C7	H6	108.164	C7	C1	C10	121.358
H8	C10	H9	106.613	H8	C10	C13	111.840
H9	C10	C13	112.223	C10	C13	H11	109.535
C10	C13	H12	112.473	C10	C13	C16	105.506
H11	C13	H12	107.358	H11	C13	C16	109.507
H12	C13	C16	112.440	C13	C16	H14	111.645
C13	C16	H15	112.012	H14	C16	H15	106.702

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

using model chemistry: HF/CEP-121G

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	0.319
2	H	0.189
3	C	-0.263
4	H	0.150
5	H	0.153
6	H	0.165
7	C	-0.590
8	H	0.140
9	H	0.139
10	C	-0.367
11	H	0.142
12	H	0.130
13	C	-0.272
14	H	0.137
15	H	0.135
16	C	-0.307

	x	y	z	Total
	-0.119	-0.263	0.072	0.297
CHELPG
AIM
ESP

	x	y	z
x	10.542	1.149	0.041
y	1.149	10.180	-0.083
z	0.041	-0.083	7.258

<r²>	143.901
(<r²>)^1/2	11.996

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

using model chemistry: HF/CEP-121G

States and conformations

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