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	hartrees
Energy at 0K	-234.345619
Energy at 298.15K	-234.356563
HF Energy	-234.089453
Nuclear repulsion energy	233.202920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3056	19.95
2	A	3155	2994	22.96
3	A	3146	2986	44.53
4	A	3114	2956	25.84
5	A	3106	2948	55.96
6	A	3097	2939	31.15
7	A	3087	2930	10.49
8	A	3061	2906	39.19
9	A	3049	2894	51.13
10	A	3045	2891	36.98
11	A	1738	1650	1.65
12	A	1559	1479	0.36
13	A	1542	1464	4.23
14	A	1539	1461	1.62
15	A	1533	1455	0.40
16	A	1529	1452	7.74
17	A	1460	1386	0.77
18	A	1394	1323	1.00
19	A	1364	1294	0.31
20	A	1358	1289	3.12
21	A	1313	1247	1.04
22	A	1275	1210	1.43
23	A	1260	1196	1.14
24	A	1197	1136	1.14
25	A	1177	1117	1.01
26	A	1119	1062	0.52
27	A	1062	1008	2.47
28	A	1050	997	4.68
29	A	1045	992	3.84
30	A	959	911	1.34
31	A	935	888	0.34
32	A	920	873	0.60
33	A	890	845	0.36
34	A	846	803	3.26
35	A	816	775	9.97
36	A	660	626	1.48
37	A	583	553	0.10
38	A	441	419	2.55
39	A	320	304	0.49
40	A	245	233	1.86
41	A	182	173	0.54
42	A	146	139	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.739	-0.036	-0.034
H2	0.347	-2.106	-0.239
C3	-0.035	-1.131	-0.110
H4	2.597	-0.636	0.831
H5	2.618	0.973	0.110
H6	2.636	-0.456	-0.927
C7	2.225	-0.038	-0.006
H8	0.039	1.561	1.155
H9	0.197	1.980	-0.572
C10	-0.076	1.187	0.130
H11	-1.606	0.725	-1.272
H12	-2.314	1.280	0.252
C13	-1.508	0.683	-0.186
H14	-1.648	-0.963	1.244
H15	-2.173	-1.426	-0.394
C16	-1.460	-0.819	0.175

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1160	1.3432	2.1355	2.1376	2.1378	1.4855	2.1116	2.1567	1.4793	2.7598	3.3374	2.3643	2.8623	3.2468	2.3445
H2	2.1160		1.0550	2.8925	3.8415	2.9041	2.8021	3.9352	4.1023	3.3400	3.5915	4.3340	3.3492	2.7363	2.6147	2.2569
C3	1.3432	1.0550		2.8394	3.3936	2.8740	2.5124	2.9759	3.1540	2.3306	2.6953	3.3369	2.3371	2.1128	2.1763	1.4864
H4	2.1355	2.8925	2.8394		1.7634	1.7673	1.0939	3.3884	3.8181	3.3110	4.8939	5.3038	4.4302	4.2782	4.9880	4.1147
H5	2.1376	3.8415	3.3936	1.7634		1.7657	1.0915	2.8444	2.7098	2.7027	4.4520	4.9439	4.1468	4.8202	5.3817	4.4556
H6	2.1378	2.9041	2.8740	1.7673	1.7657		1.0915	3.8924	3.4658	3.3423	4.4174	5.3765	4.3609	4.8297	4.9347	4.2578
C7	1.4855	2.8021	2.5124	1.0939	1.0915	1.0915		2.9472	2.9169	2.6102	4.1066	4.7335	3.8058	4.1733	4.6275	3.7714
H8	2.1116	3.9352	2.9759	3.3884	2.8444	3.8924	2.9472		1.7844	1.0977	3.0497	2.5364	2.2280	3.0373	4.0271	2.9795
H9	2.1567	4.1023	3.1540	3.8181	2.7098	3.4658	2.9169	1.7844		1.0939	2.3059	2.7340	2.1770	3.9196	4.1534	3.3382
C10	1.4793	3.3400	2.3306	3.3110	2.7027	3.3423	2.6102	1.0977	1.0939		2.1265	2.2434	1.5506	2.8868	3.3910	2.4380
H11	2.7598	3.5915	2.6953	4.8939	4.4520	4.4174	4.1066	3.0497	2.3059	2.1265		1.7697	1.0918	3.0306	2.3917	2.1219
H12	3.3374	4.3340	3.3369	5.3038	4.9439	5.3765	4.7335	2.5364	2.7340	2.2434	1.7697		1.0947	2.5408	2.7853	2.2672
C13	2.3643	3.3492	2.3371	4.4302	4.1468	4.3609	3.8058	2.2280	2.1770	1.5506	1.0918	1.0947		2.1843	2.2206	1.5453
H14	2.8623	2.7363	2.1128	4.2782	4.8202	4.8297	4.1733	3.0373	3.9196	2.8868	3.0306	2.5408	2.1843		1.7816	1.0949
H15	3.2468	2.6147	2.1763	4.9880	5.3817	4.9347	4.6275	4.0271	4.1534	3.3910	2.3917	2.7853	2.2206	1.7816		1.0952
C16	2.3445	2.2569	1.4864	4.1147	4.4556	4.2578	3.7714	2.9795	3.3382	2.4380	2.1219	2.2672	1.5453	1.0949	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	123.404	C1	C3	C16	111.802
C1	C7	H4	110.850	C1	C7	H5	111.167
C1	C7	H6	111.191	C1	C10	H8	109.151
C1	C10	H9	113.031	C1	C10	C13	102.556
H2	C3	C16	124.389	C3	C1	C7	125.217
C3	C1	C10	111.233	C3	C16	C13	100.852
C3	C16	H14	108.923	C3	C16	H15	114.065
H4	C7	H5	107.578	H4	C7	H6	107.936
H5	C7	H6	107.965	C7	C1	C10	123.380
H8	C10	H9	109.011	H8	C10	C13	113.450
H9	C10	C13	109.606	C10	C13	H11	105.859
C10	C13	H12	114.915	C10	C13	C16	103.904
H11	C13	H12	108.062	H11	C13	C16	105.863
H12	C13	C16	117.341	C13	C16	H14	110.486
C13	C16	H15	113.392	H14	C16	H15	108.875

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

using model chemistry: B2PLYP/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	C	0.126
2	H	0.141
3	C	-0.184
4	H	0.160
5	H	0.160
6	H	0.162
7	C	-0.517
8	H	0.151
9	H	0.147
10	C	-0.330
11	H	0.154
12	H	0.146
13	C	-0.300
14	H	0.151
15	H	0.149
16	C	-0.315

	x	y	z
x	10.268	0.839	0.083
y	0.839	9.484	-0.108
z	0.083	-0.108	6.709

<r²>	170.498
(<r²>)^1/2	13.057

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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