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	hartrees
Energy at 0K	-234.489660
Energy at 298.15K	-234.500406
HF Energy	-234.489660
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3131	3069	29.43
2	A	3066	3006	29.46
3	A	3059	2999	52.45
4	A	3015	2956	80.77
5	A	3013	2954	25.95
6	A	3001	2942	44.04
7	A	2994	2935	12.09
8	A	2966	2908	55.00
9	A	2949	2891	62.42
10	A	2948	2890	50.88
11	A	1693	1660	1.92
12	A	1506	1476	0.28
13	A	1492	1462	4.50
14	A	1487	1458	0.96
15	A	1482	1453	0.07
16	A	1480	1451	7.32
17	A	1411	1383	0.33
18	A	1347	1321	0.76
19	A	1315	1289	0.21
20	A	1310	1284	3.40
21	A	1270	1246	1.33
22	A	1233	1209	2.32
23	A	1219	1195	0.86
24	A	1158	1136	1.26
25	A	1141	1118	1.15
26	A	1081	1060	0.25
27	A	1026	1006	2.78
28	A	1018	998	4.82
29	A	1010	990	4.19
30	A	930	911	1.34
31	A	905	887	0.29
32	A	890	872	0.69
33	A	863	846	0.30
34	A	819	803	2.36
35	A	787	772	10.07
36	A	643	631	1.73
37	A	570	558	0.14
38	A	428	420	2.61
39	A	314	308	0.53
40	A	234	229	1.86
41	A	174	171	0.68
42	A	129	127	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.760	0.075	-0.002
H2	-0.333	2.191	-0.073
C3	0.031	1.163	-0.025
H4	-2.666	-0.448	0.864
H5	-2.618	-0.562	-0.898
H6	-2.693	1.040	-0.117
C7	-2.259	0.034	-0.041
H8	-0.027	-1.600	1.156
H9	-0.264	-1.992	-0.549
C10	0.069	-1.192	0.133
H11	1.743	-0.900	-1.227
H12	2.272	-1.243	0.430
C13	1.515	-0.716	-0.166
H14	1.881	1.064	1.099
H15	2.134	1.368	-0.622
C16	1.499	0.817	0.091

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1600	1.3457	2.1578	2.1587	2.1638	1.4995	2.1639	2.1947	1.5198	2.9526	3.3345	2.4142	3.0276	3.2298	2.3800
H2	2.1600		1.0919	3.6449	3.6714	2.6260	2.8918	3.9967	4.2105	3.4127	3.8986	4.3396	3.4458	2.7466	2.6575	2.2960
C3	1.3457	1.0919		3.2651	3.2797	2.7288	2.5532	3.0049	3.2117	2.3601	2.9381	3.3191	2.3981	2.1663	2.1951	1.5125
H4	2.1578	3.6449	3.2651		1.7661	1.7828	1.1036	2.8941	3.1859	2.9274	4.9009	5.0209	4.3146	4.7977	5.3428	4.4214
H5	2.1587	3.6714	3.2797	1.7661		1.7835	1.1033	3.4655	2.7768	2.9463	4.3872	5.1132	4.2003	5.1840	5.1363	4.4533
H6	2.1638	2.6260	2.7288	1.7828	1.7835		1.0990	3.9620	3.9092	3.5600	4.9679	5.4925	4.5601	4.7330	4.8642	4.2035
C7	1.4995	2.8918	2.5532	1.1036	1.1033	1.0990		3.0134	2.8878	2.6363	4.2770	4.7308	3.8493	4.4156	4.6271	3.8409
H8	2.1639	3.9967	3.0049	2.8941	3.4655	3.9620	3.0134		1.7653	1.1061	3.0498	2.4378	2.2155	3.2774	4.0793	3.0505
H9	2.1947	4.2105	3.2117	3.1859	2.7768	3.9092	2.8878	1.7653		1.1025	2.3834	2.8199	2.2225	4.0813	4.1288	3.3777
C10	1.5198	3.4127	2.3601	2.9274	2.9463	3.5600	2.6363	1.1061	1.1025		2.1761	2.2238	1.5512	3.0507	3.3743	2.4662
H11	2.9526	3.8986	2.9381	4.9009	4.3872	4.9679	4.2770	3.0498	2.3834	2.1761		1.7722	1.1000	3.0476	2.3803	2.1782
H12	3.3345	4.3396	3.3191	5.0209	5.1132	5.4925	4.7308	2.4378	2.8199	2.2238	1.7722		1.0986	2.4341	2.8186	2.2262
C13	2.4142	3.4458	2.3981	4.3146	4.2003	4.5601	3.8493	2.2155	2.2225	1.5512	1.1000	1.0986		2.2147	2.2214	1.5545
H14	3.0276	2.7466	2.1663	4.7977	5.1840	4.7330	4.4156	3.2774	4.0813	3.0507	3.0476	2.4341	2.2147		1.7657	1.1060
H15	3.2298	2.6575	2.1951	5.3428	5.1363	4.8642	4.6271	4.0793	4.1288	3.3743	2.3803	2.8186	2.2214	1.7657		1.1020
C16	2.3800	2.2960	1.5125	4.4214	4.4533	4.2035	3.8409	3.0505	3.3777	2.4662	2.1782	2.2262	1.5545	1.1060	1.1020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.427	C1	C3	C16	112.615
C1	C7	H4	111.022	C1	C7	H5	111.170
C1	C7	H6	111.806	C1	C10	H8	109.948
C1	C10	H9	112.675	C1	C10	C13	103.717
H2	C3	C16	122.903	C3	C1	C7	127.518
C3	C1	C10	110.694	C3	C16	C13	102.895
C3	C16	H14	110.661	C3	C16	H15	113.300
H4	C7	H5	106.399	H4	C7	H6	108.075
H5	C7	H6	108.149	C7	C1	C10	121.747
H8	C10	H9	106.105	H8	C10	C13	111.849
H9	C10	C13	112.663	C10	C13	H11	109.082
C10	C13	H12	113.134	C10	C13	C16	105.125
H11	C13	H12	107.321	H11	C13	C16	109.027
H12	C13	C16	113.067	C13	C16	H14	111.552
C13	C16	H15	112.381	H14	C16	H15	106.184

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

using model chemistry: B97D3/6-31G*

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	0.173
2	H	0.117
3	C	-0.159
4	H	0.157
5	H	0.156
6	H	0.158
7	C	-0.530
8	H	0.144
9	H	0.140
10	C	-0.330
11	H	0.148
12	H	0.138
13	C	-0.288
14	H	0.145
15	H	0.142
16	C	-0.310

	x	y	z	Total
	-0.149	-0.179	0.053	0.239
CHELPG
AIM
ESP

	x	y	z
x	10.879	0.875	0.095
y	0.875	9.856	-0.112
z	0.095	-0.112	6.887

<r²>	171.354
(<r²>)^1/2	13.090

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

using model chemistry: B97D3/6-31G*

States and conformations

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