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	hartrees
Energy at 0K	-234.455479
Energy at 298.15K	-234.466658
Nuclear repulsion energy	234.886064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3103	33.92
2	A	3223	3074	7.72
3	A	3138	2993	27.48
4	A	3136	2991	52.36
5	A	3100	2957	34.51
6	A	3095	2952	32.73
7	A	3054	2912	27.70
8	A	3051	2910	24.11
9	A	3024	2884	24.10
10	A	3024	2884	44.95
11	A	1715	1636	1.98
12	A	1543	1472	9.06
13	A	1537	1466	3.44
14	A	1531	1461	1.01
15	A	1527	1456	3.26
16	A	1450	1383	5.14
17	A	1403	1338	0.29
18	A	1392	1328	5.48
19	A	1361	1298	0.21
20	A	1333	1271	1.42
21	A	1327	1266	5.76
22	A	1264	1205	0.58
23	A	1194	1138	0.08
24	A	1178	1124	3.16
25	A	1160	1107	0.10
26	A	1138	1086	0.48
27	A	1097	1047	1.60
28	A	1023	976	8.59
29	A	1008	962	0.70
30	A	1001	955	0.26
31	A	958	913	5.68
32	A	948	904	4.31
33	A	926	883	0.03
34	A	839	801	1.93
35	A	792	755	0.58
36	A	727	694	42.22
37	A	584	557	4.36
38	A	427	407	1.30
39	A	401	383	0.10
40	A	319	304	0.12
41	A	247	236	0.01
42	A	99	95	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	2.433	1.295	-0.139
C2	1.552	0.669	-0.067
H3	2.433	-1.295	-0.139
C4	1.552	-0.669	-0.067
H5	-0.155	1.616	-0.988
H6	0.047	2.056	0.704
C7	0.153	1.228	-0.005
H8	0.047	-2.056	0.704
H9	-0.154	-1.616	-0.988
C10	0.153	-1.228	-0.005
H11	-0.779	-0.000	1.494
C12	-0.706	-0.000	0.399
H13	-2.676	0.884	0.124
H14	-2.676	-0.884	0.124
H15	-2.069	0.000	-1.285
C16	-2.112	-0.000	-0.190

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0838	2.5910	2.1543	2.7423	2.6428	2.2854	4.2000	3.9866	3.4039	3.8291	3.4381	5.1327	5.5611	4.8233	4.7264
C2	1.0838		2.1543	1.3379	2.1583	2.1872	1.5080	3.2072	2.9969	2.3579	2.8837	2.4002	4.2379	4.5083	3.8788	3.7264
H3	2.5910	2.1543		1.0838	3.9868	4.2000	3.4039	2.6428	2.7424	2.2854	3.8290	3.4380	5.5611	5.1327	4.8234	4.7264
C4	2.1543	1.3379	1.0838		2.9970	3.2072	2.3579	2.1872	2.1583	1.5080	2.8836	2.4002	4.5083	4.2378	3.8789	3.7264
H5	2.7423	2.1583	3.9868	2.9970		1.7602	1.1007	4.0483	3.2316	3.0246	3.0273	2.1998	2.8515	3.7209	2.5230	2.6607
H6	2.6428	2.1872	4.2000	3.2072	1.7602		1.0955	4.1126	4.0483	3.3616	2.3525	2.2108	3.0209	4.0493	3.5584	3.1125
C7	2.2854	1.5080	3.4039	2.3579	1.1007	1.0955		3.3616	3.0246	2.4559	2.1503	1.5517	2.8527	3.5327	2.8431	2.5827
H8	4.2000	3.2072	2.6428	2.1872	4.0483	4.1126	3.3616		1.7602	1.0955	2.3526	2.2108	4.0493	3.0208	3.5584	3.1124
H9	3.9866	2.9969	2.7424	2.1583	3.2316	4.0483	3.0246	1.7602		1.1007	3.0273	2.1998	3.7209	2.8515	2.5230	2.6607
C10	3.4039	2.3579	2.2854	1.5080	3.0246	3.3616	2.4559	1.0955	1.1007		2.1503	1.5517	3.5327	2.8526	2.8431	2.5827
H11	3.8291	2.8837	3.8290	2.8836	3.0273	2.3525	2.1503	2.3526	3.0273	2.1503		1.0979	2.5022	2.5022	3.0644	2.1482
C12	3.4381	2.4002	3.4380	2.4002	2.1998	2.2108	1.5517	2.2108	2.1998	1.5517	1.0979		2.1772	2.1772	2.1668	1.5246
H13	5.1327	4.2379	5.5611	4.5083	2.8515	3.0209	2.8527	4.0493	3.7209	3.5327	2.5022	2.1772		1.7681	1.7704	1.0947
H14	5.5611	4.5083	5.1327	4.2378	3.7209	4.0493	3.5327	3.0208	2.8515	2.8526	2.5022	2.1772	1.7681		1.7704	1.0947
H15	4.8233	3.8788	4.8234	3.8789	2.5230	3.5584	2.8431	3.5584	2.5230	2.8431	3.0644	2.1668	1.7704	1.7704		1.0957
C16	4.7264	3.7264	4.7264	3.7264	2.6607	3.1125	2.5827	3.1124	2.6607	2.5827	2.1482	1.5246	1.0947	1.0947	1.0957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.319	H1	C2	C7	122.884
C2	C4	H3	125.320	C2	C4	C10	111.759
C2	C7	H5	110.681	C2	C7	H6	113.356
C2	C7	C12	103.328	H3	C4	C10	122.884
C4	C2	C7	111.760	C4	C10	H8	113.354
C4	C10	H9	110.681	C4	C10	C12	103.328
H5	C7	H6	106.540	H5	C7	C12	110.917
H6	C7	C12	112.109	C7	C12	C10	104.621
C7	C12	H11	107.250	C7	C12	C16	114.182
H8	C10	H9	106.540	H8	C10	C12	112.109
H9	C10	C12	110.918	C10	C12	H11	107.251
C10	C12	C16	114.182	H11	C12	C16	108.916
C12	C16	H13	111.393	C12	C16	H14	111.392
C12	C16	H15	110.501	H13	C16	H14	107.712
H13	C16	H15	107.843	H14	C16	H15	107.843

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)

using model chemistry: B1B95/6-31G

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	H	0.144
2	C	-0.123
3	H	0.144
4	C	-0.123
5	H	0.159
6	H	0.155
7	C	-0.330
8	H	0.155
9	H	0.159
10	C	-0.330
11	H	0.160
12	C	-0.165
13	H	0.151
14	H	0.151
15	H	0.149
16	C	-0.456

	x	y	z	Total
	-0.201	0.000	0.007	0.201
CHELPG
AIM
ESP

	x	y	z
x	9.284	0.000	-0.059
y	0.000	9.987	-0.000
z	-0.059	-0.000	6.577

<r²>	163.782
(<r²>)^1/2	12.798

All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)