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	hartrees
Energy at 0K	-234.609958
Energy at 298.15K	-234.620814
Nuclear repulsion energy	231.340542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3080	21.22
2	A	3130	3008	32.93
3	A	3127	3006	73.90
4	A	3083	2964	45.18
5	A	3081	2961	60.90
6	A	3071	2952	28.36
7	A	3059	2940	22.13
8	A	3024	2906	57.83
9	A	3021	2904	89.36
10	A	3017	2900	21.85
11	A	1722	1655	4.41
12	A	1530	1470	4.10
13	A	1517	1459	15.02
14	A	1514	1455	2.38
15	A	1509	1451	0.94
16	A	1507	1449	15.59
17	A	1442	1386	9.08
18	A	1374	1321	4.50
19	A	1338	1286	6.25
20	A	1325	1273	0.92
21	A	1308	1258	1.69
22	A	1256	1207	1.58
23	A	1237	1189	1.13
24	A	1187	1141	0.91
25	A	1165	1120	1.04
26	A	1106	1063	0.27
27	A	1065	1023	2.13
28	A	1043	1003	10.85
29	A	1040	1000	9.56
30	A	949	912	3.49
31	A	923	888	2.01
32	A	910	874	1.41
33	A	876	842	0.27
34	A	846	813	11.09
35	A	810	778	14.14
36	A	667	641	4.31
37	A	582	559	0.15
38	A	442	425	6.25
39	A	319	307	0.85
40	A	239	230	4.05
41	A	171	164	0.84
42	A	121	116	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.766	0.075	0.001
H2	-0.336	2.194	-0.068
C3	0.027	1.170	-0.020
H4	-2.677	-0.459	0.861
H5	-2.630	-0.547	-0.902
H6	-2.706	1.037	-0.098
C7	-2.272	0.032	-0.037
H8	-0.042	-1.637	1.124
H9	-0.252	-1.975	-0.594
C10	0.068	-1.201	0.118
H11	1.800	-0.931	-1.190
H12	2.260	-1.227	0.492
C13	1.529	-0.720	-0.148
H14	1.904	1.096	1.072
H15	2.119	1.361	-0.658
C16	1.507	0.826	0.081

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1641	1.3524	2.1627	2.1629	2.1682	1.5076	2.1714	2.1950	1.5280	3.0016	3.3306	2.4324	3.0522	3.2267	2.3949
H2	2.1641		1.0879	3.6585	3.6711	2.6379	2.9029	4.0232	4.2033	3.4239	3.9480	4.3315	3.4607	2.7425	2.6586	2.2999
C3	1.3524	1.0879		3.2775	3.2846	2.7376	2.5657	3.0319	3.2090	2.3748	2.9873	3.3160	2.4171	2.1725	2.1954	1.5224
H4	2.1627	3.6585	3.2775		1.7651	1.7775	1.1006	2.8978	3.2083	2.9386	4.9464	5.0101	4.3323	4.8417	5.3500	4.4456
H5	2.1629	3.6711	3.2846	1.7651		1.7779	1.1004	3.4628	2.7911	2.9578	4.4560	5.1306	4.2302	5.2108	5.1245	4.4685
H6	2.1682	2.6379	2.7376	1.7775	1.7779		1.0964	3.9674	3.9167	3.5706	5.0365	5.4900	4.5849	4.7562	4.8683	4.2219
C7	1.5076	2.9029	2.5657	1.1006	1.1004	1.0964		3.0178	2.9016	2.6495	4.3401	4.7339	3.8759	4.4497	4.6300	3.8634
H8	2.1714	4.0232	3.0319	2.8978	3.4628	3.9674	3.0178		1.7638	1.1023	3.0409	2.4226	2.2193	3.3549	4.1034	3.0910
H9	2.1950	4.2033	3.2090	3.2083	2.7911	3.9167	2.9016	1.7638		1.0997	2.3779	2.8371	2.2234	4.1053	4.0937	3.3755
C10	1.5280	3.4239	2.3748	2.9386	2.9578	3.5706	2.6495	1.1023	1.0997		2.1869	2.2240	1.5601	3.0908	3.3724	2.4856
H11	3.0016	3.9480	2.9873	4.9464	4.4560	5.0365	4.3401	3.0409	2.3779	2.1869		1.7688	1.0974	3.0395	2.3750	2.1880
H12	3.3306	4.3315	3.3160	5.0101	5.1306	5.4900	4.7339	2.4226	2.8371	2.2240	1.7688		1.0963	2.4213	2.8364	2.2256
C13	2.4324	3.4607	2.4171	4.3323	4.2302	4.5849	3.8759	2.2193	2.2234	1.5601	1.0974	1.0963		2.2199	2.2233	1.5632
H14	3.0522	2.7425	2.1725	4.8417	5.2108	4.7562	4.4497	3.3549	4.1053	3.0908	3.0395	2.4213	2.2199		1.7642	1.1018
H15	3.2267	2.6586	2.1954	5.3500	5.1245	4.8683	4.6300	4.1034	4.0937	3.3724	2.3750	2.8364	2.2233	1.7642		1.0988
C16	2.3949	2.2999	1.5224	4.4456	4.4685	4.2219	3.8634	3.0910	3.3755	2.4856	2.1880	2.2256	1.5632	1.1018	1.0988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.599	C1	C3	C16	112.694
C1	C7	H4	111.067	C1	C7	H5	111.094
C1	C7	H6	111.768	C1	C10	H8	110.237
C1	C10	H9	112.282	C1	C10	C13	103.931
H2	C3	C16	122.674	C3	C1	C7	127.472
C3	C1	C10	110.927	C3	C16	C13	103.132
C3	C16	H14	110.739	C3	C16	H15	112.761
H4	C7	H5	106.639	H4	C7	H6	108.005
H5	C7	H6	108.057	C7	C1	C10	121.574
H8	C10	H9	106.454	H8	C10	C13	111.778
H9	C10	C13	112.263	C10	C13	H11	109.519
C10	C13	H12	112.520	C10	C13	C16	105.466
H11	C13	H12	107.471	H11	C13	C16	109.401
H12	C13	C16	112.432	C13	C16	H14	111.648
C13	C16	H15	112.095	H14	C16	H15	106.579

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

using model chemistry: B3LYP/LANL2DZ

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	0.412
2	H	0.231
3	C	-0.395
4	H	0.206
5	H	0.208
6	H	0.214
7	C	-0.763
8	H	0.196
9	H	0.197
10	C	-0.483
11	H	0.202
12	H	0.196
13	C	-0.409
14	H	0.195
15	H	0.195
16	C	-0.400

	x	y	z	Total
	-0.091	-0.292	0.075	0.315
CHELPG
AIM
ESP

	x	y	z
x	10.340	0.950	0.044
y	0.950	9.610	-0.079
z	0.044	-0.079	6.614

<r²>	172.773
(<r²>)^1/2	13.144

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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