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	hartrees
Energy at 0K	-233.103861
Energy at 298.15K	-233.115146
HF Energy	-233.103861
Nuclear repulsion energy	234.551603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3317	3007	21.73
2	A	3231	2929	32.91
3	A	3222	2920	72.07
4	A	3193	2894	80.05
5	A	3189	2891	28.72
6	A	3179	2881	51.06
7	A	3167	2871	9.48
8	A	3150	2855	54.92
9	A	3141	2847	66.57
10	A	3137	2843	39.72
11	A	1860	1686	5.46
12	A	1636	1483	0.67
13	A	1615	1464	0.83
14	A	1606	1456	6.48
15	A	1605	1455	1.20
16	A	1598	1448	7.55
17	A	1540	1396	1.07
18	A	1485	1346	2.02
19	A	1458	1321	1.48
20	A	1444	1309	2.93
21	A	1401	1269	1.08
22	A	1355	1228	0.72
23	A	1339	1214	1.92
24	A	1263	1145	2.39
25	A	1251	1134	0.41
26	A	1188	1077	3.89
27	A	1126	1021	6.37
28	A	1108	1004	3.72
29	A	1101	998	2.13
30	A	1001	907	2.45
31	A	978	886	0.17
32	A	966	876	2.73
33	A	934	846	1.60
34	A	913	828	12.13
35	A	869	787	3.62
36	A	706	640	0.98
37	A	615	558	0.03
38	A	483	438	4.48
39	A	343	311	0.66
40	A	262	237	2.58
41	A	196	177	0.56
42	A	143	129	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.751	0.072	0.000
H2	-0.363	2.148	-0.075
C3	0.011	1.143	-0.022
H4	-2.637	-0.455	0.851
H5	-2.588	-0.562	-0.889
H6	-2.675	1.011	-0.114
C7	-2.243	0.022	-0.041
H8	-0.009	-1.584	1.137
H9	-0.235	-1.967	-0.545
C10	0.084	-1.181	0.131
H11	1.741	-0.879	-1.206
H12	2.265	-1.210	0.424
C13	1.514	-0.698	-0.163
H14	1.851	1.070	1.079
H15	2.090	1.367	-0.618
C16	1.478	0.819	0.089

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1135	1.3150	2.1355	2.1373	2.1442	1.4942	2.1404	2.1723	1.5107	2.9271	3.3037	2.3971	2.9877	3.1828	2.3521
H2	2.1135		1.0733	3.5782	3.5998	2.5764	2.8385	3.9392	4.1436	3.3648	3.8558	4.2926	3.4103	2.7188	2.6310	2.2759
C3	1.3150	1.0733		3.2140	3.2272	2.6906	2.5181	2.9630	3.1634	2.3301	2.9125	3.2885	2.3809	2.1451	2.1742	1.5060
H4	2.1355	3.5782	3.2140		1.7436	1.7555	1.0857	2.8750	3.1633	2.9073	4.8563	4.9783	4.2799	4.7453	5.2749	4.3746
H5	2.1373	3.5998	3.2272	1.7436		1.7558	1.0853	3.4347	2.7617	2.9260	4.3525	5.0690	4.1675	5.1222	5.0675	4.4039
H6	2.1442	2.5764	2.6906	1.7555	1.7558		1.0816	3.9248	3.8737	3.5320	4.9258	5.4425	4.5239	4.6802	4.8045	4.1617
C7	1.4942	2.8385	2.5181	1.0857	1.0853	1.0816		2.9932	2.8709	2.6255	4.2480	4.6967	3.8273	4.3720	4.5739	3.8078
H8	2.1404	3.9392	2.9630	2.8750	3.4347	3.9248	2.9932		1.7396	1.0876	3.0078	2.4118	2.1886	3.2408	4.0237	3.0135
H9	2.1723	4.1436	3.1634	3.1633	2.7617	3.8737	2.8709	1.7396		1.0848	2.3511	2.7865	2.1940	4.0263	4.0654	3.3316
C10	1.5107	3.3648	2.3301	2.9073	2.9260	3.5320	2.6255	1.0876	1.0848		2.1503	2.2007	1.5369	3.0142	3.3279	2.4380
H11	2.9271	3.8558	2.9125	4.8563	4.3525	4.9258	4.2480	3.0078	2.3511	2.1503		1.7441	1.0827	3.0049	2.3473	2.1516
H12	3.3037	4.2926	3.2885	4.9783	5.0690	5.4425	4.6967	2.4118	2.7865	2.2007	1.7441		1.0820	2.4076	2.7849	2.2019
C13	2.3971	3.4103	2.3809	4.2799	4.1675	4.5239	3.8273	2.1886	2.1940	1.5369	1.0827	1.0820		2.1870	2.1920	1.5389
H14	2.9877	2.7188	2.1451	4.7453	5.1222	4.6802	4.3720	3.2408	4.0263	3.0142	3.0049	2.4076	2.1870		1.7393	1.0871
H15	3.1828	2.6310	2.1742	5.2749	5.0675	4.8045	4.5739	4.0237	4.0654	3.3279	2.3473	2.7849	2.1920	1.7393		1.0839
C16	2.3521	2.2759	1.5060	4.3746	4.4039	4.1617	3.8078	3.0135	3.3316	2.4380	2.1516	2.2019	1.5389	1.0871	1.0839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.180	C1	C3	C16	112.804
C1	C7	H4	110.740	C1	C7	H5	110.913
C1	C7	H6	111.702	C1	C10	H8	109.856
C1	C10	H9	112.612	C1	C10	C13	103.727
H2	C3	C16	122.975	C3	C1	C7	127.255
C3	C1	C10	110.913	C3	C16	C13	102.871
C3	C16	H14	110.588	C3	C16	H15	113.164
H4	C7	H5	106.867	H4	C7	H6	108.192
H5	C7	H6	108.249	C7	C1	C10	121.796
H8	C10	H9	106.406	H8	C10	C13	111.859
H9	C10	C13	112.480	C10	C13	H11	109.105
C10	C13	H12	113.200	C10	C13	C16	104.868
H11	C13	H12	107.349	H11	C13	C16	109.073
H12	C13	C16	113.159	C13	C16	H14	111.622
C13	C16	H15	112.231	H14	C16	H15	106.479

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

using model chemistry: HF/Def2TZVPP

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	-0.062
2	H	0.069
3	C	-0.139
4	H	0.060
5	H	0.064
6	H	0.069
7	C	-0.190
8	H	0.042
9	H	0.044
10	C	-0.020
11	H	0.042
12	H	0.049
13	C	-0.100
14	H	0.038
15	H	0.043
16	C	-0.009

	x	y	z	Total
	-0.126	-0.214	0.071	0.259
CHELPG
AIM
ESP

	x	y	z
x	11.158	0.904	0.017
y	0.904	10.398	-0.061
z	0.017	-0.061	7.782

<r²>	169.401
(<r²>)^1/2	13.015

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

using model chemistry: HF/Def2TZVPP

States and conformations

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