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	hartrees
Energy at 0K	-234.652611
Energy at 298.15K	-234.663587
HF Energy	-234.652611
Nuclear repulsion energy	234.252607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3061	17.56
2	A	3131	2993	25.46
3	A	3130	2992	39.77
4	A	3094	2958	24.49
5	A	3093	2957	46.40
6	A	3083	2947	36.47
7	A	3069	2934	10.45
8	A	3040	2906	39.80
9	A	3039	2905	53.89
10	A	3029	2896	37.44
11	A	1752	1675	4.27
12	A	1519	1452	2.31
13	A	1499	1433	9.07
14	A	1496	1430	0.74
15	A	1491	1426	1.44
16	A	1488	1422	8.89
17	A	1428	1365	3.09
18	A	1377	1316	2.02
19	A	1350	1290	1.32
20	A	1336	1277	2.14
21	A	1294	1237	1.51
22	A	1258	1202	1.11
23	A	1244	1189	1.19
24	A	1181	1129	0.96
25	A	1172	1120	1.25
26	A	1098	1050	0.85
27	A	1052	1006	2.35
28	A	1038	992	6.87
29	A	1034	988	5.27
30	A	951	909	2.49
31	A	927	886	0.83
32	A	913	873	0.94
33	A	886	847	0.46
34	A	843	806	6.07
35	A	811	775	9.37
36	A	662	633	1.46
37	A	584	559	0.06
38	A	447	427	4.13
39	A	325	311	0.60
40	A	241	231	2.25
41	A	185	177	0.78
42	A	137	131	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.752	0.073	0.001
H2	-0.348	2.166	-0.076
C3	0.022	1.151	-0.023
H4	-2.640	-0.446	0.859
H5	-2.588	-0.566	-0.890
H6	-2.673	1.025	-0.123
C7	-2.241	0.028	-0.041
H8	-0.022	-1.588	1.143
H9	-0.254	-1.969	-0.551
C10	0.075	-1.182	0.131
H11	1.734	-0.889	-1.214
H12	2.260	-1.224	0.429
C13	1.507	-0.706	-0.164
H14	1.859	1.061	1.087
H15	2.105	1.362	-0.621
C16	1.483	0.814	0.089

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1327	1.3269	2.1378	2.1386	2.1469	1.4904	2.1439	2.1737	1.5085	2.9302	3.3070	2.3955	2.9958	3.1953	2.3567
H2	2.1327		1.0821	3.5989	3.6255	2.5902	2.8561	3.9604	4.1632	3.3806	3.8680	4.3068	3.4198	2.7288	2.6378	2.2824
C3	1.3269	1.0821		3.2274	3.2423	2.6998	2.5267	2.9766	3.1760	2.3378	2.9171	3.2938	2.3812	2.1481	2.1769	1.5036
H4	2.1378	3.5989	3.2274		1.7541	1.7684	1.0928	2.8705	3.1629	2.9058	4.8612	4.9799	4.2796	4.7511	5.2891	4.3801
H5	2.1386	3.6255	3.2423	1.7541		1.7685	1.0926	3.4295	2.7443	2.9173	4.3462	5.0664	4.1612	5.1319	5.0803	4.4089
H6	2.1469	2.5902	2.6998	1.7684	1.7685		1.0892	3.9311	3.8727	3.5329	4.9269	5.4487	4.5240	4.6909	4.8151	4.1669
C7	1.4904	2.8561	2.5267	1.0928	1.0926	1.0892		2.9897	2.8632	2.6186	4.2451	4.6953	3.8215	4.3769	4.5829	3.8090
H8	2.1439	3.9604	2.9766	2.8705	3.4295	3.9311	2.9897		1.7521	1.0953	3.0219	2.4183	2.1967	3.2499	4.0421	3.0243
H9	2.1737	4.1632	3.1760	3.1629	2.7443	3.8727	2.8632	1.7521		1.0922	2.3577	2.7982	2.2015	4.0412	4.0820	3.3424
C10	1.5085	3.3806	2.3378	2.9058	2.9173	3.5329	2.6186	1.0953	1.0922		2.1561	2.2052	1.5378	3.0216	3.3401	2.4430
H11	2.9302	3.8680	2.9171	4.8612	4.3462	4.9269	4.2451	3.0219	2.3577	2.1561		1.7571	1.0902	3.0188	2.3569	2.1588
H12	3.3070	4.3068	3.2938	4.9799	5.0664	5.4487	4.6953	2.4183	2.7982	2.2052	1.7571		1.0891	2.4120	2.7957	2.2073
C13	2.3955	3.4198	2.3812	4.2796	4.1612	4.5240	3.8215	2.1967	2.2015	1.5378	1.0902	1.0891		2.1933	2.2004	1.5406
H14	2.9958	2.7288	2.1481	4.7511	5.1319	4.6909	4.3769	3.2499	4.0412	3.0216	3.0188	2.4120	2.1933		1.7515	1.0947
H15	3.1953	2.6378	2.1769	5.2891	5.0803	4.8151	4.5829	4.0421	4.0820	3.3401	2.3569	2.7957	2.2004	1.7515		1.0912
C16	2.3567	2.2824	1.5036	4.3801	4.4089	4.1669	3.8090	3.0243	3.3424	2.4430	2.1588	2.2073	1.5406	1.0947	1.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.262	C1	C3	C16	112.584
C1	C7	H4	110.759	C1	C7	H5	110.840
C1	C7	H6	111.714	C1	C10	H8	109.830
C1	C10	H9	112.420	C1	C10	C13	103.690
H2	C3	C16	123.111	C3	C1	C7	127.398
C3	C1	C10	110.915	C3	C16	C13	102.920
C3	C16	H14	110.546	C3	C16	H15	113.100
H4	C7	H5	106.767	H4	C7	H6	108.278
H5	C7	H6	108.305	C7	C1	C10	121.657
H8	C10	H9	106.449	H8	C10	C13	111.982
H9	C10	C13	112.564	C10	C13	H11	109.066
C10	C13	H12	113.063	C10	C13	C16	105.044
H11	C13	H12	107.466	H11	C13	C16	109.085
H12	C13	C16	113.031	C13	C16	H14	111.545
C13	C16	H15	112.333	H14	C16	H15	106.505

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.029
2	H	0.121
3	C	-0.234
4	H	0.086
5	H	0.090
6	H	0.089
7	C	-0.245
8	H	0.087
9	H	0.085
10	C	-0.154
11	H	0.086
12	H	0.086
13	C	-0.167
14	H	0.083
15	H	0.084
16	C	-0.125

	x	y	z	Total
	-0.139	-0.214	0.065	0.264
CHELPG
AIM
ESP

	x	y	z
x	11.648	0.824	0.040
y	0.824	10.646	-0.081
z	0.040	-0.081	7.805

<r²>	169.170
(<r²>)^1/2	13.007

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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