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	hartrees
Energy at 0K	-233.099390
Energy at 298.15K	-233.110868
HF Energy	-233.099390
Nuclear repulsion energy	235.966645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3339	3026	25.89
2	A	3311	3001	11.66
3	A	3218	2917	97.54
4	A	3209	2909	16.77
5	A	3207	2907	54.23
6	A	3191	2892	54.80
7	A	3168	2872	30.36
8	A	3150	2855	27.94
9	A	3146	2851	58.73
10	A	3116	2825	33.89
11	A	1818	1648	2.62
12	A	1628	1476	1.22
13	A	1615	1464	4.14
14	A	1613	1462	4.34
15	A	1606	1456	0.74
16	A	1534	1390	2.45
17	A	1518	1376	7.82
18	A	1465	1328	0.51
19	A	1456	1320	0.76
20	A	1432	1298	4.96
21	A	1419	1286	0.97
22	A	1340	1215	0.77
23	A	1305	1183	0.75
24	A	1234	1119	1.21
25	A	1214	1101	3.48
26	A	1201	1088	9.76
27	A	1143	1036	1.85
28	A	1093	991	0.30
29	A	1067	967	1.14
30	A	1042	944	1.58
31	A	1007	912	0.95
32	A	965	874	3.75
33	A	917	831	2.79
34	A	883	800	1.75
35	A	815	739	38.04
36	A	810	735	4.32
37	A	630	571	4.41
38	A	534	484	1.78
39	A	366	332	0.06
40	A	308	279	0.07
41	A	258	234	0.03
42	A	123	111	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-0.274	2.199	0.098
C2	0.110	1.197	0.092
H3	2.138	1.576	-0.383
C4	1.358	0.876	-0.157
H5	2.128	-0.831	0.883
H6	2.188	-1.012	-0.847
C7	1.592	-0.608	-0.037
H8	0.060	-2.047	0.618
H9	-0.112	-1.474	-1.021
C10	0.163	-1.176	-0.016
H11	-0.889	-0.040	1.498
C12	-0.742	-0.006	0.419
H13	-2.716	0.836	0.093
H14	-2.666	-0.911	0.003
H15	-2.030	0.052	-1.318
C16	-2.119	-0.007	-0.239

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0733	2.5372	2.1167	3.9450	4.1551	3.3735	4.2911	3.8429	3.4052	2.7110	2.2770	2.7969	3.9251	3.1145	2.8958
C2	1.0733		2.1170	1.3125	2.9677	3.1744	2.3390	3.2870	2.9017	2.3760	2.1226	1.5105	2.8492	3.4872	2.8071	2.5553
H3	2.5372	2.1170		1.0725	2.7198	2.6303	2.2783	4.2956	3.8436	3.4076	3.9134	3.3832	4.9332	5.4238	4.5358	4.5446
C4	2.1167	1.3125	1.0725		2.1412	2.1745	1.5070	3.2909	2.9033	2.3787	2.9372	2.3501	4.0820	4.4062	3.6756	3.5888
H5	3.9450	2.9677	2.7198	2.1412		1.7397	1.0868	2.4135	3.0090	2.1877	3.1788	3.0220	5.1826	4.8742	4.7863	4.4689
H6	4.1551	3.1744	2.6303	2.1745	1.7397		1.0836	2.7826	2.3522	2.1945	3.9886	3.3469	5.3236	4.9284	4.3757	4.4642
C7	3.3735	2.3390	2.2783	1.5070	1.0868	1.0836		2.2016	2.1503	1.5379	2.9722	2.4539	4.5452	4.2691	3.8987	3.7652
H8	4.2911	3.2870	4.2956	3.2909	2.4135	2.7826	2.2016		1.7451	1.0824	2.3887	2.2025	4.0362	3.0164	3.5386	3.1057
H9	3.8429	2.9017	3.8436	2.9033	3.0090	2.3522	2.1503	1.7451		1.0839	3.0009	2.1511	3.6539	2.8082	2.4687	2.6060
C10	3.4052	2.3760	3.4076	2.3787	2.1877	2.1945	1.5379	1.0824	1.0839		2.1657	1.5424	3.5136	2.8414	2.8308	2.5739
H11	2.7110	2.1226	3.9134	2.9372	3.1788	3.9886	2.9722	2.3887	3.0009	2.1657		1.0888	2.4652	2.4803	3.0393	2.1283
C12	2.2770	1.5105	3.3832	2.3501	3.0220	3.3469	2.4539	2.2025	2.1511	1.5424	1.0888		2.1699	2.1664	2.1632	1.5260
H13	2.7969	2.8492	4.9332	4.0820	5.1826	5.3236	4.5452	4.0362	3.6539	3.5136	2.4652	2.1699		1.7499	1.7528	1.0842
H14	3.9251	3.4872	5.4238	4.4062	4.8742	4.9284	4.2691	3.0164	2.8082	2.8414	2.4803	2.1664	1.7499		1.7538	1.0842
H15	3.1145	2.8071	4.5358	3.6756	4.7863	4.3757	3.8987	3.5386	2.4687	2.8308	3.0393	2.1632	1.7528	1.7538		1.0841
C16	2.8958	2.5553	4.5446	3.5888	4.4689	4.4642	3.7652	3.1057	2.6060	2.5739	2.1283	1.5260	1.0842	1.0842	1.0841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.756	H1	C2	C12	122.690
C2	C4	H3	124.852	C2	C4	C7	111.927
C2	C12	C10	102.202	C2	C12	H11	108.408
C2	C12	C16	114.602	H3	C4	C7	123.184
C4	C2	C12	112.525	C4	C7	H5	110.229
C4	C7	H6	113.132	C4	C7	C10	102.738
H5	C7	H6	106.561	H5	C7	C10	111.768
H6	C7	C10	112.514	C7	C10	H8	113.178
C7	C10	H9	108.967	C7	C10	C12	105.616
H8	C10	H9	107.331	H8	C10	C12	112.918
H9	C10	C12	108.727	C10	C12	H11	109.582
C10	C12	C16	114.035	H11	C12	C16	107.801
C12	C16	H13	111.349	C12	C16	H14	111.064
C12	C16	H15	110.815	H13	C16	H14	107.615
H13	C16	H15	107.879	H14	C16	H15	107.968

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-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	H	0.078
2	C	-0.198
3	H	0.079
4	C	-0.139
5	H	0.042
6	H	0.047
7	C	-0.002
8	H	0.050
9	H	0.042
10	C	-0.150
11	H	0.016
12	C	0.178
13	H	0.056
14	H	0.060
15	H	0.049
16	C	-0.206

	x	y	z	Total
	-0.006	-0.184	0.160	0.244
CHELPG
AIM
ESP

	x	y	z
x	11.708	-0.358	-0.358
y	-0.358	9.482	-0.014
z	-0.358	-0.014	7.962

<r²>	163.794
(<r²>)^1/2	12.798

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)