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	hartrees
Energy at 0K	-233.092298
Energy at 298.15K	-233.103591
Nuclear repulsion energy	234.520277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3313	3010	21.07
2	A	3227	2932	32.64
3	A	3216	2922	70.63
4	A	3188	2896	78.93
5	A	3185	2894	26.02
6	A	3174	2884	51.07
7	A	3162	2873	9.01
8	A	3146	2858	53.52
9	A	3137	2850	64.85
10	A	3132	2846	39.01
11	A	1856	1686	5.75
12	A	1636	1486	0.83
13	A	1614	1467	1.05
14	A	1606	1459	7.08
15	A	1605	1458	1.03
16	A	1598	1452	7.63
17	A	1540	1399	1.13
18	A	1484	1348	1.98
19	A	1457	1324	1.41
20	A	1444	1312	3.00
21	A	1399	1271	1.13
22	A	1354	1230	0.73
23	A	1338	1215	2.04
24	A	1262	1146	2.36
25	A	1250	1136	0.40
26	A	1186	1077	3.89
27	A	1125	1022	6.49
28	A	1107	1006	4.03
29	A	1101	1000	2.03
30	A	1000	909	2.47
31	A	977	888	0.23
32	A	966	877	2.60
33	A	934	848	1.63
34	A	912	829	12.58
35	A	868	789	3.61
36	A	703	639	0.96
37	A	614	558	0.03
38	A	482	438	4.77
39	A	342	311	0.66
40	A	262	238	2.69
41	A	196	178	0.64
42	A	145	132	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.750	0.075	-0.001
H2	-0.350	2.155	-0.070
C3	0.017	1.146	-0.022
H4	-2.638	-0.455	0.852
H5	-2.592	-0.552	-0.890
H6	-2.674	1.018	-0.105
C7	-2.245	0.026	-0.039
H8	-0.028	-1.600	1.125
H9	-0.243	-1.960	-0.565
C10	0.076	-1.185	0.125
H11	1.758	-0.898	-1.193
H12	2.251	-1.212	0.451
C13	1.512	-0.704	-0.155
H14	1.864	1.080	1.071
H15	2.091	1.359	-0.633
C16	1.484	0.819	0.085

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1199	1.3178	2.1379	2.1389	2.1451	1.4965	2.1435	2.1717	1.5119	2.9426	3.2969	2.3979	2.9985	3.1812	2.3566
H2	2.1199		1.0749	3.5911	3.6092	2.5874	2.8504	3.9539	4.1466	3.3732	3.8767	4.2871	3.4139	2.7131	2.6290	2.2750
C3	1.3178	1.0749		3.2207	3.2313	2.6951	2.5241	2.9763	3.1641	2.3366	2.9294	3.2831	2.3831	2.1471	2.1728	1.5073
H4	2.1379	3.5911	3.2207		1.7455	1.7568	1.0861	2.8630	3.1637	2.9029	4.8684	4.9633	4.2776	4.7608	5.2777	4.3816
H5	2.1389	3.6092	3.2313	1.7455		1.7572	1.0857	3.4260	2.7586	2.9242	4.3746	5.0688	4.1724	5.1341	5.0641	4.4096
H6	2.1451	2.5874	2.6951	1.7568	1.7572		1.0822	3.9203	3.8721	3.5313	4.9498	5.4351	4.5271	4.6880	4.8063	4.1673
C7	1.4965	2.8504	2.5241	1.0861	1.0857	1.0822		2.9865	2.8696	2.6239	4.2680	4.6898	3.8299	4.3847	4.5751	3.8148
H8	2.1435	3.9539	2.9763	2.8630	3.4260	3.9203	2.9865		1.7416	1.0881	3.0091	2.4078	2.1938	3.2799	4.0413	3.0357
H9	2.1717	4.1466	3.1641	3.1637	2.7586	3.8721	2.8696	1.7416		1.0853	2.3508	2.7948	2.1965	4.0436	4.0576	3.3357
C10	1.5119	3.3732	2.3366	2.9029	2.9242	3.5313	2.6239	1.0881	1.0853		2.1557	2.1995	1.5400	3.0361	3.3322	2.4493
H11	2.9426	3.8767	2.9294	4.8684	4.3746	4.9498	4.2680	3.0091	2.3508	2.1557		1.7445	1.0835	3.0070	2.3484	2.1576
H12	3.2969	4.2871	3.2831	4.9633	5.0688	5.4351	4.6898	2.4078	2.7948	2.1995	1.7445		1.0824	2.4052	2.7947	2.2015
C13	2.3979	3.4139	2.3831	4.2776	4.1724	4.5271	3.8299	2.1938	2.1965	1.5400	1.0835	1.0824		2.1927	2.1952	1.5423
H14	2.9985	2.7131	2.1471	4.7608	5.1341	4.6880	4.3847	3.2799	4.0436	3.0361	3.0070	2.4052	2.1927		1.7413	1.0874
H15	3.1812	2.6290	2.1728	5.2777	5.0641	4.8063	4.5751	4.0413	4.0576	3.3322	2.3484	2.7947	2.1952	1.7413		1.0845
C16	2.3566	2.2750	1.5073	4.3816	4.4096	4.1673	3.8148	3.0357	3.3357	2.4493	2.1576	2.2015	1.5423	1.0874	1.0845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.430	C1	C3	C16	112.880
C1	C7	H4	110.748	C1	C7	H5	110.851
C1	C7	H6	111.575	C1	C10	H8	109.989
C1	C10	H9	112.433	C1	C10	C13	103.563
H2	C3	C16	122.646	C3	C1	C7	127.393
C3	C1	C10	111.140	C3	C16	C13	102.779
C3	C16	H14	110.640	C3	C16	H15	112.915
H4	C7	H5	106.972	H4	C7	H6	108.234
H5	C7	H6	108.297	C7	C1	C10	121.429
H8	C10	H9	106.507	H8	C10	C13	112.028
H9	C10	C13	112.420	C10	C13	H11	109.272
C10	C13	H12	112.848	C10	C13	C16	105.241
H11	C13	H12	107.308	H11	C13	C16	109.263
H12	C13	C16	112.854	C13	C16	H14	111.818
C13	C16	H15	112.209	H14	C16	H15	106.592

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.218
2	H	0.100
3	C	-0.225
4	H	0.128
5	H	0.134
6	H	0.108
7	C	-0.331
8	H	0.131
9	H	0.115
10	C	-0.275
11	H	0.133
12	H	0.113
13	C	-0.208
14	H	0.131
15	H	0.114
16	C	-0.386

	x	y	z	Total
	-0.124	-0.223	0.076	0.266
CHELPG
AIM
ESP

	x	y	z
x	11.281	0.854	0.007
y	0.854	10.467	-0.060
z	0.007	-0.060	7.949

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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