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	hartrees
Energy at 0K	-233.313958
Energy at 298.15K	-233.325159
Nuclear repulsion energy	234.416876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3257	3109	21.60
2	A	3228	3081	4.25
3	A	3141	2998	48.04
4	A	3136	2994	18.98
5	A	3120	2978	14.98
6	A	3115	2973	21.97
7	A	3085	2945	4.75
8	A	3063	2924	27.00
9	A	3050	2912	22.14
10	A	3049	2911	22.30
11	A	1699	1622	0.88
12	A	1570	1499	9.81
13	A	1564	1493	4.23
14	A	1541	1471	1.73
15	A	1535	1465	4.07
16	A	1462	1396	7.60
17	A	1399	1336	0.64
18	A	1389	1325	5.19
19	A	1367	1305	0.06
20	A	1330	1269	4.92
21	A	1324	1264	7.75
22	A	1287	1229	0.99
23	A	1214	1159	0.76
24	A	1181	1127	4.06
25	A	1168	1115	0.06
26	A	1133	1082	0.30
27	A	1085	1036	0.95
28	A	1011	966	6.57
29	A	1002	956	0.52
30	A	984	939	1.89
31	A	959	916	6.83
32	A	930	887	4.70
33	A	919	877	0.57
34	A	832	794	2.23
35	A	799	763	0.87
36	A	723	690	50.22
37	A	589	563	6.40
38	A	425	405	1.81
39	A	397	379	0.09
40	A	326	311	0.24
41	A	262	250	0.04
42	A	94	90	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	-2.435	-1.294	-0.148
C2	-1.556	-0.667	-0.070
H3	-2.435	1.294	-0.147
C4	-1.556	0.667	-0.070
H5	0.160	-1.604	-0.991
H6	-0.052	-2.057	0.713
C7	-0.149	-1.233	-0.002
H8	-0.052	2.058	0.712
H9	0.160	1.602	-0.991
C10	-0.149	1.233	-0.002
H11	0.784	0.000	1.507
C12	0.711	0.000	0.413
H13	2.676	-0.887	0.110
H14	2.676	0.887	0.110
H15	2.042	-0.000	-1.293
C16	2.112	-0.000	-0.199

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0826	2.5879	2.1505	2.7463	2.6455	2.2911	4.2013	3.9793	3.4105	3.8434	3.4472	5.1338	5.5630	4.7989	4.7277
C2	1.0826		2.1505	1.3342	2.1609	2.1918	1.5175	3.2088	2.9906	2.3650	2.8991	2.4113	4.2414	4.5118	3.8581	3.7300
H3	2.5879	2.1505		1.0826	3.9805	4.2005	3.4105	2.6460	2.7465	2.2914	3.8432	3.4472	5.5631	5.1340	4.7994	4.7279
C4	2.1505	1.3342	1.0826		2.9916	3.2081	2.3650	2.1923	2.1607	1.5177	2.8990	2.4113	4.5119	4.2416	3.8584	3.7301
H5	2.7463	2.1609	3.9805	2.9916		1.7753	1.0999	4.0430	3.2061	3.0196	3.0331	2.2011	2.8380	3.7071	2.4907	2.6470
H6	2.6455	2.1918	4.2005	3.2081	1.7753		1.0952	4.1143	4.0422	3.3679	2.3581	2.2142	3.0293	4.0588	3.5551	3.1218
C7	2.2911	1.5175	3.4105	2.3650	1.0999	1.0952		3.3685	3.0188	2.4659	2.1609	1.5596	2.8488	3.5341	2.8262	2.5830
H8	4.2013	3.2088	2.6460	2.1923	4.0430	4.1143	3.3685		1.7753	1.0951	2.3588	2.2143	4.0586	3.0288	3.5547	3.1215
H9	3.9793	2.9906	2.7465	2.1607	3.2061	4.0422	3.0188	1.7753		1.1000	3.0331	2.2007	3.7069	2.8383	2.4904	2.6468
C10	3.4105	2.3650	2.2914	1.5177	3.0196	3.3679	2.4659	1.0951	1.1000		2.1608	1.5593	3.5339	2.8487	2.8262	2.5828
H11	3.8434	2.8991	3.8432	2.8990	3.0331	2.3581	2.1609	2.3588	3.0331	2.1608		1.0967	2.5143	2.5145	3.0701	2.1625
C12	3.4472	2.4113	3.4472	2.4113	2.2011	2.2142	1.5596	2.2143	2.2007	1.5593	1.0967		2.1777	2.1777	2.1642	1.5292
H13	5.1338	4.2414	5.5631	4.5119	2.8380	3.0293	2.8488	4.0586	3.7069	3.5339	2.5143	2.1777		1.7738	1.7766	1.0956
H14	5.5630	4.5118	5.1340	4.2416	3.7071	4.0588	3.5341	3.0288	2.8383	2.8487	2.5145	2.1777	1.7738		1.7766	1.0956
H15	4.7989	3.8581	4.7994	3.8584	2.4907	3.5551	2.8262	3.5547	2.4904	2.8262	3.0701	2.1642	1.7766	1.7766		1.0960
C16	4.7277	3.7300	4.7279	3.7301	2.6470	3.1218	2.5830	3.1215	2.6468	2.5828	2.1625	1.5292	1.0956	1.0956	1.0960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.383	H1	C2	C7	122.679
C2	C4	H3	125.381	C2	C4	C10	111.886
C2	C7	H5	110.277	C2	C7	H6	113.054
C2	C7	C12	103.179	H3	C4	C10	122.691
C4	C2	C7	111.897	C4	C10	H8	113.085
C4	C10	H9	110.238	C4	C10	C12	103.179
H5	C7	H6	107.949	H5	C7	C12	110.524
H6	C7	C12	111.839	C7	C12	C10	104.487
C7	C12	H11	107.606	C7	C12	C16	113.484
H8	C10	H9	107.945	H8	C10	C12	111.870
H9	C10	C12	110.505	C10	C12	H11	107.614
C10	C12	C16	113.489	H11	C12	C16	109.783
C12	C16	H13	111.045	C12	C16	H14	111.048
C12	C16	H15	109.949	H13	C16	H14	108.088
H13	C16	H15	108.308	H14	C16	H15	108.308

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

using model chemistry: mPW1PW91/3-21G

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
1	H	0.208
2	C	-0.197
3	H	0.207
4	C	-0.197
5	H	0.225
6	H	0.220
7	C	-0.448
8	H	0.220
9	H	0.225
10	C	-0.448
11	H	0.231
12	C	-0.267
13	H	0.211
14	H	0.211
15	H	0.209
16	C	-0.610

	x	y	z	Total
	0.210	-0.000	-0.019	0.210
CHELPG
AIM
ESP

<r²>	164.125
(<r²>)^1/2	12.811

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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