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	hartrees
Energy at 0K	-234.648722
Energy at 298.15K	-234.659693
HF Energy	-234.648722
Nuclear repulsion energy	234.034176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3209	3064	16.10
2	A	3136	2995	31.93
3	A	3136	2994	33.22
4	A	3100	2960	13.55
5	A	3099	2960	52.52
6	A	3089	2950	35.16
7	A	3074	2936	12.37
8	A	3043	2906	43.60
9	A	3042	2906	50.11
10	A	3035	2898	35.00
11	A	1752	1673	4.21
12	A	1522	1453	2.64
13	A	1501	1433	10.49
14	A	1498	1430	0.44
15	A	1493	1426	1.47
16	A	1489	1422	10.77
17	A	1428	1364	3.76
18	A	1377	1315	2.45
19	A	1350	1290	1.77
20	A	1338	1278	2.40
21	A	1295	1236	1.45
22	A	1259	1202	1.08
23	A	1246	1190	1.75
24	A	1183	1129	1.16
25	A	1172	1120	1.10
26	A	1099	1049	1.30
27	A	1052	1005	2.07
28	A	1038	991	6.72
29	A	1034	987	5.24
30	A	951	908	2.79
31	A	927	886	0.98
32	A	913	872	0.89
33	A	888	848	0.36
34	A	842	804	6.11
35	A	813	776	11.72
36	A	662	632	1.66
37	A	585	559	0.06
38	A	445	425	4.75
39	A	326	312	0.59
40	A	242	231	2.83
41	A	179	171	0.83
42	A	143	137	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.753	0.073	0.001
H2	-0.348	2.169	-0.076
C3	0.022	1.152	-0.023
H4	-2.643	-0.448	0.859
H5	-2.590	-0.566	-0.893
H6	-2.675	1.025	-0.122
C7	-2.243	0.027	-0.042
H8	-0.019	-1.586	1.147
H9	-0.254	-1.972	-0.549
C10	0.076	-1.183	0.132
H11	1.735	-0.888	-1.218
H12	2.263	-1.226	0.426
C13	1.509	-0.706	-0.165
H14	1.860	1.061	1.089
H15	2.106	1.364	-0.621
C16	1.484	0.815	0.089

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1359	1.3283	2.1397	2.1407	2.1482	1.4916	2.1463	2.1767	1.5105	2.9327	3.3117	2.3984	2.9975	3.1984	2.3588
H2	2.1359		1.0836	3.6042	3.6297	2.5933	2.8605	3.9635	4.1697	3.3850	3.8719	4.3126	3.4242	2.7314	2.6399	2.2850
C3	1.3283	1.0836		3.2308	3.2450	2.7016	2.5293	2.9782	3.1806	2.3406	2.9200	3.2986	2.3845	2.1500	2.1791	1.5053
H4	2.1397	3.6042	3.2308		1.7571	1.7705	1.0941	2.8740	3.1642	2.9080	4.8650	4.9859	4.2839	4.7541	5.2943	4.3841
H5	2.1407	3.6297	3.2450	1.7571		1.7705	1.0939	3.4366	2.7481	2.9213	4.3484	5.0721	4.1650	5.1356	5.0846	4.4126
H6	2.1482	2.5933	2.7016	1.7705	1.7705		1.0906	3.9349	3.8769	3.5362	4.9304	5.4548	4.5282	4.6938	4.8193	4.1702
C7	1.4916	2.8605	2.5293	1.0941	1.0939	1.0906		2.9937	2.8657	2.6211	4.2479	4.7008	3.8251	4.3799	4.5873	3.8124
H8	2.1463	3.9635	2.9782	2.8740	3.4366	3.9349	2.9937		1.7550	1.0966	3.0259	2.4207	2.1983	3.2471	4.0438	3.0241
H9	2.1767	4.1697	3.1806	3.1642	2.7481	3.8769	2.8657	1.7550		1.0935	2.3615	2.8007	2.2039	4.0438	4.0879	3.3462
C10	1.5105	3.3850	2.3406	2.9080	2.9213	3.5362	2.6211	1.0966	1.0935		2.1589	2.2078	1.5394	3.0223	3.3435	2.4446
H11	2.9327	3.8719	2.9200	4.8650	4.3484	4.9304	4.2479	3.0259	2.3615	2.1589		1.7596	1.0916	3.0231	2.3601	2.1615
H12	3.3117	4.3126	3.2986	4.9859	5.0721	5.4548	4.7008	2.4207	2.8007	2.2078	1.7596		1.0905	2.4151	2.7985	2.2099
C13	2.3984	3.4242	2.3845	4.2839	4.1650	4.5282	3.8251	2.1983	2.2039	1.5394	1.0916	1.0905		2.1957	2.2028	1.5423
H14	2.9975	2.7314	2.1500	4.7541	5.1356	4.6938	4.3799	3.2471	4.0438	3.0223	3.0231	2.4151	2.1957		1.7544	1.0960
H15	3.1984	2.6399	2.1791	5.2943	5.0846	4.8193	4.5873	4.0438	4.0879	3.3435	2.3601	2.7985	2.2028	1.7544		1.0925
C16	2.3588	2.2850	1.5053	4.3841	4.4126	4.1702	3.8124	3.0241	3.3462	2.4446	2.1615	2.2099	1.5423	1.0960	1.0925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.328	C1	C3	C16	112.545
C1	C7	H4	110.754	C1	C7	H5	110.845
C1	C7	H6	111.655	C1	C10	H8	109.804
C1	C10	H9	112.432	C1	C10	C13	103.692
H2	C3	C16	123.083	C3	C1	C7	127.422
C3	C1	C10	110.908	C3	C16	C13	102.953
C3	C16	H14	110.491	C3	C16	H15	113.065
H4	C7	H5	106.855	H4	C7	H6	108.268
H5	C7	H6	108.292	C7	C1	C10	121.639
H8	C10	H9	106.518	H8	C10	C13	111.922
H9	C10	C13	112.562	C10	C13	H11	109.097
C10	C13	H12	113.067	C10	C13	C16	104.983
H11	C13	H12	107.489	H11	C13	C16	109.096
H12	C13	C16	113.024	C13	C16	H14	111.537
C13	C16	H15	112.324	H14	C16	H15	106.574

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

using model chemistry: wB97X-D/TZVP

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	0.008
2	H	0.125
3	C	-0.173
4	H	0.124
5	H	0.129
6	H	0.130
7	C	-0.382
8	H	0.129
9	H	0.128
10	C	-0.242
11	H	0.137
12	H	0.126
13	C	-0.279
14	H	0.124
15	H	0.123
16	C	-0.207

	x	y	z	Total
	-0.114	-0.234	0.083	0.273
CHELPG
AIM
ESP

	x	y	z
x	11.502	0.915	0.040
y	0.915	10.676	-0.087
z	0.040	-0.087	7.998

<r²>	169.445
(<r²>)^1/2	13.017

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

using model chemistry: wB97X-D/TZVP

States and conformations

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