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	hartrees
Energy at 0K	-234.531810
Energy at 298.15K	-234.542705
Nuclear repulsion energy	234.014639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3067	19.97
2	A	3143	3007	23.74
3	A	3130	2994	41.05
4	A	3097	2963	18.84
5	A	3090	2956	53.80
6	A	3081	2948	37.60
7	A	3069	2936	11.09
8	A	3040	2908	47.06
9	A	3025	2894	57.64
10	A	3023	2892	36.68
11	A	1739	1663	3.59
12	A	1505	1440	1.77
13	A	1486	1422	9.99
14	A	1483	1419	1.24
15	A	1477	1413	3.31
16	A	1476	1412	7.93
17	A	1411	1350	3.51
18	A	1366	1306	1.70
19	A	1333	1275	1.39
20	A	1326	1269	2.03
21	A	1278	1222	1.80
22	A	1252	1197	1.07
23	A	1229	1176	1.87
24	A	1178	1126	0.60
25	A	1150	1100	1.93
26	A	1083	1036	1.38
27	A	1053	1007	2.27
28	A	1025	980	6.78
29	A	1016	972	6.35
30	A	949	908	2.31
31	A	928	887	0.87
32	A	903	864	0.26
33	A	881	843	0.51
34	A	833	797	5.85
35	A	805	770	12.82
36	A	643	615	1.46
37	A	573	548	0.05
38	A	440	421	4.77
39	A	315	301	0.55
40	A	244	234	2.91
41	A	178	170	0.88
42	A	150	143	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.754	0.073	-0.002
H2	-0.331	2.176	-0.080
C3	0.033	1.154	-0.026
H4	-2.649	-0.440	0.859
H5	-2.599	-0.562	-0.893
H6	-2.674	1.033	-0.125
C7	-2.244	0.032	-0.044
H8	-0.009	-1.566	1.170
H9	-0.264	-1.990	-0.515
C10	0.073	-1.181	0.143
H11	1.697	-0.872	-1.243
H12	2.268	-1.243	0.382
C13	1.499	-0.707	-0.180
H14	1.856	1.036	1.109
H15	2.129	1.363	-0.594
C16	1.490	0.806	0.098

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1469	1.3376	2.1438	2.1449	2.1498	1.4913	2.1480	2.1814	1.5096	2.9056	3.3185	2.3911	2.9956	3.2138	2.3630
H2	2.1469		1.0860	3.6194	3.6479	2.6075	2.8740	3.9581	4.1893	3.3892	3.8420	4.3194	3.4167	2.7373	2.6414	2.2854
C3	1.3376	1.0860		3.2432	3.2596	2.7111	2.5387	2.9718	3.1957	2.3422	2.8911	3.3029	2.3748	2.1508	2.1820	1.5033
H4	2.1438	3.6194	3.2432		1.7567	1.7714	1.0960	2.8870	3.1594	2.9110	4.8474	5.0053	4.2848	4.7472	5.3100	4.3891
H5	2.1449	3.6479	3.2596	1.7567		1.7720	1.0957	3.4597	2.7630	2.9321	4.3216	5.0771	4.1622	5.1389	5.1140	4.4245
H6	2.1498	2.6075	2.7111	1.7714	1.7720		1.0920	3.9409	3.8855	3.5385	4.8974	5.4642	4.5215	4.6946	4.8371	4.1759
C7	1.4913	2.8740	2.5387	1.0960	1.0957	1.0920		3.0038	2.8695	2.6228	4.2181	4.7084	3.8182	4.3757	4.6046	3.8163
H8	2.1480	3.9581	2.9718	2.8870	3.4597	3.9409	3.0038		1.7562	1.0995	3.0357	2.4313	2.1986	3.2018	4.0328	3.0037
H9	2.1814	4.1893	3.1957	3.1594	2.7630	3.8855	2.8695	1.7562		1.0956	2.3714	2.7879	2.2056	4.0357	4.1200	3.3572
C10	1.5096	3.3892	2.3422	2.9110	2.9321	3.5385	2.6228	1.0995	1.0956		2.1574	2.2087	1.5370	3.0047	3.3534	2.4414
H11	2.9056	3.8420	2.8911	4.8474	4.3216	4.8974	4.2181	3.0357	2.3714	2.1574		1.7618	1.0941	3.0333	2.3676	2.1590
H12	3.3185	4.3194	3.3029	5.0053	5.0771	5.4642	4.7084	2.4313	2.7879	2.2087	1.7618		1.0925	2.4275	2.7863	2.2102
C13	2.3911	3.4167	2.3748	4.2848	4.1622	4.5215	3.8182	2.1986	2.2056	1.5370	1.0941	1.0925		2.1974	2.2036	1.5391
H14	2.9956	2.7373	2.1508	4.7472	5.1389	4.6946	4.3757	3.2018	4.0357	3.0047	3.0333	2.4275	2.1974		1.7559	1.0990
H15	3.2138	2.6414	2.1820	5.3100	5.1140	4.8371	4.6046	4.0328	4.1200	3.3534	2.3676	2.7863	2.2036	1.7559		1.0948
C16	2.3630	2.2854	1.5033	4.3891	4.4245	4.1759	3.8163	3.0037	3.3572	2.4414	2.1590	2.2102	1.5391	1.0990	1.0948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.381	C1	C3	C16	112.434
C1	C7	H4	110.975	C1	C7	H5	111.092
C1	C7	H6	111.718	C1	C10	H8	109.828
C1	C10	H9	112.754	C1	C10	C13	103.412
H2	C3	C16	123.119	C3	C1	C7	127.547
C3	C1	C10	110.552	C3	C16	C13	102.614
C3	C16	H14	110.515	C3	C16	H15	113.310
H4	C7	H5	106.551	H4	C7	H6	108.111
H5	C7	H6	108.190	C7	C1	C10	121.846
H8	C10	H9	106.273	H8	C10	C13	111.934
H9	C10	C13	112.743	C10	C13	H11	109.003
C10	C13	H12	113.189	C10	C13	C16	105.060
H11	C13	H12	107.358	H11	C13	C16	108.979
H12	C13	C16	113.155	C13	C16	H14	111.714
C13	C16	H15	112.475	H14	C16	H15	106.335

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

using model chemistry: B1B95/6-31+G**

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	0.464
2	H	0.132
3	C	-0.264
4	H	0.163
5	H	0.165
6	H	0.162
7	C	-0.534
8	H	0.164
9	H	0.155
10	C	-0.513
11	H	0.167
12	H	0.152
13	C	-0.329
14	H	0.162
15	H	0.155
16	C	-0.402

	x	y	z	Total
	-0.124	-0.227	0.096	0.276
CHELPG
AIM
ESP

	x	y	z
x	11.612	0.909	0.055
y	0.909	10.712	-0.107
z	0.055	-0.107	7.986

<r²>	169.527
(<r²>)^1/2	13.020

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

using model chemistry: B1B95/6-31+G**

States and conformations

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