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	hartrees
Energy at 0K	-234.619777
Energy at 298.15K	-234.630697
Nuclear repulsion energy	233.504840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3073	17.70
2	A	3146	3015	22.09
3	A	3133	3003	40.74
4	A	3098	2969	19.27
5	A	3091	2962	55.38
6	A	3081	2953	31.98
7	A	3070	2942	10.51
8	A	3038	2912	47.76
9	A	3030	2903	57.25
10	A	3026	2900	36.79
11	A	1741	1669	4.05
12	A	1497	1435	2.14
13	A	1476	1414	4.24
14	A	1470	1408	6.17
15	A	1467	1406	1.58
16	A	1458	1397	8.66
17	A	1402	1344	4.09
18	A	1363	1306	1.12
19	A	1328	1272	1.09
20	A	1320	1265	1.52
21	A	1270	1217	2.07
22	A	1251	1199	0.73
23	A	1224	1173	1.66
24	A	1179	1130	0.40
25	A	1148	1100	1.49
26	A	1078	1033	1.57
27	A	1055	1011	2.54
28	A	1024	981	7.09
29	A	1012	970	6.07
30	A	950	911	2.23
31	A	930	891	0.99
32	A	905	867	0.21
33	A	884	847	0.54
34	A	831	797	5.52
35	A	799	766	11.52
36	A	657	630	1.70
37	A	584	560	0.06
38	A	442	424	4.47
39	A	320	307	0.68
40	A	242	232	2.62
41	A	183	175	0.74
42	A	129	123	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.756	0.072	-0.002
H2	-0.339	2.181	-0.069
C3	0.029	1.156	-0.023
H4	-2.650	-0.449	0.865
H5	-2.605	-0.558	-0.894
H6	-2.675	1.039	-0.111
C7	-2.247	0.033	-0.039
H8	-0.039	-1.605	1.139
H9	-0.259	-1.973	-0.569
C10	0.070	-1.186	0.124
H11	1.757	-0.908	-1.206
H12	2.254	-1.229	0.458
C13	1.508	-0.711	-0.155
H14	1.877	1.076	1.084
H15	2.113	1.358	-0.637
C16	1.490	0.813	0.085

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1512	1.3391	2.1469	2.1476	2.1518	1.4918	2.1509	2.1801	1.5100	2.9541	3.3115	2.4006	3.0199	3.2078	2.3672
H2	2.1512		1.0903	3.6234	3.6497	2.6009	2.8733	3.9851	4.1854	3.3972	3.9025	4.3164	3.4325	2.7319	2.6481	2.2893
C3	1.3391	1.0903		3.2471	3.2618	2.7088	2.5385	2.9960	3.1899	2.3469	2.9401	3.2968	2.3851	2.1553	2.1815	1.5043
H4	2.1469	3.6234	3.2471		1.7633	1.7796	1.1003	2.8684	3.1782	2.9137	4.8911	4.9823	4.2894	4.7814	5.3111	4.3979
H5	2.1476	3.6497	3.2618	1.7633		1.7801	1.1000	3.4370	2.7596	2.9303	4.3877	5.0885	4.1820	5.1645	5.0991	4.4288
H6	2.1518	2.6009	2.7088	1.7796	1.7801		1.0958	3.9371	3.8891	3.5414	4.9636	5.4560	4.5348	4.7067	4.8277	4.1763
C7	1.4918	2.8733	2.5385	1.1003	1.1000	1.0958		2.9903	2.8742	2.6229	4.2758	4.7010	3.8298	4.3992	4.5961	3.8198
H8	2.1509	3.9851	2.9960	2.8684	3.4370	3.9371	2.9903		1.7610	1.1030	3.0344	2.4212	2.2060	3.2948	4.0698	3.0487
H9	2.1801	4.1854	3.1899	3.1782	2.7596	3.8891	2.8742	1.7610		1.0995	2.3673	2.8150	2.2108	4.0731	4.0901	3.3547
C10	1.5100	3.3972	2.3469	2.9137	2.9303	3.5414	2.6229	1.1030	1.0995		2.1662	2.2101	1.5402	3.0497	3.3505	2.4527
H11	2.9541	3.9025	2.9401	4.8911	4.3877	4.9636	4.2758	3.0344	2.3673	2.1662		1.7660	1.0975	3.0318	2.3633	2.1683
H12	3.3115	4.3164	3.2968	4.9823	5.0885	5.4560	4.7010	2.4212	2.8150	2.2101	1.7660		1.0962	2.4175	2.8132	2.2122
C13	2.4006	3.4325	2.3851	4.2894	4.1820	4.5348	3.8298	2.2060	2.2108	1.5402	1.0975	1.0962		2.2051	2.2088	1.5431
H14	3.0199	2.7319	2.1553	4.7814	5.1645	4.7067	4.3992	3.2948	4.0731	3.0497	3.0318	2.4175	2.2051		1.7607	1.1026
H15	3.2078	2.6481	2.1815	5.3111	5.0991	4.8277	4.5961	4.0698	4.0901	3.3505	2.3633	2.8132	2.2088	1.7607		1.0987
C16	2.3672	2.2893	1.5043	4.3979	4.4288	4.1763	3.8198	3.0487	3.3547	2.4527	2.1683	2.2122	1.5431	1.1026	1.0987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.304	C1	C3	C16	112.589
C1	C7	H4	110.938	C1	C7	H5	111.008
C1	C7	H6	111.613	C1	C10	H8	109.819
C1	C10	H9	112.372	C1	C10	C13	103.812
H2	C3	C16	123.055	C3	C1	C7	127.378
C3	C1	C10	110.778	C3	C16	C13	103.002
C3	C16	H14	110.592	C3	C16	H15	112.948
H4	C7	H5	106.519	H4	C7	H6	108.254
H5	C7	H6	108.317	C7	C1	C10	121.802
H8	C10	H9	106.172	H8	C10	C13	112.087
H9	C10	C13	112.686	C10	C13	H11	109.272
C10	C13	H12	112.841	C10	C13	C16	105.403
H11	C13	H12	107.232	H11	C13	C16	109.240
H12	C13	C16	112.800	C13	C16	H14	111.837
C13	C16	H15	112.368	H14	C16	H15	106.228

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	-0.137
2	H	-0.569
3	C	0.327
4	H	0.001
5	H	0.005
6	H	-0.195
7	C	0.367
8	H	-0.139
9	H	-0.185
10	C	0.206
11	H	-0.254
12	H	-0.210
13	C	0.650
14	H	-0.168
15	H	-0.150
16	C	0.452

	x	y	z	Total
	-0.128	-0.220	0.073	0.264
CHELPG
AIM
ESP

	x	y	z
x	12.375	0.814	0.040
y	0.814	11.206	-0.084
z	0.040	-0.084	8.456

<r²>	170.220
(<r²>)^1/2	13.047

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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