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	hartrees
Energy at 0K	-195.849597
Energy at 298.15K	-195.859346
HF Energy	-195.144473
Nuclear repulsion energy	173.923902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3022	35.42
2	A	3176	3006	29.94
3	A	3162	2993	19.51
4	A	3156	2987	8.29
5	A	3071	2906	13.34
6	A	3066	2902	46.67
7	A	3059	2895	21.59
8	A	1803	1706	0.43
9	A	1555	1472	5.33
10	A	1554	1470	7.58
11	A	1540	1458	1.50
12	A	1481	1402	1.83
13	A	1472	1393	1.99
14	A	1470	1391	6.55
15	A	1417	1341	1.73
16	A	1277	1209	2.88
17	A	1169	1106	5.54
18	A	1099	1040	5.39
19	A	1002	948	1.67
20	A	992	939	0.79
21	A	790	748	1.31
22	A	530	502	1.94
23	A	392	371	0.28
24	A	307	291	0.19
25	A	3126	2959	26.60
26	A	3122	2955	38.96
27	A	3119	2952	7.18
28	A	1545	1462	18.20
29	A	1537	1455	0.64
30	A	1526	1444	0.88
31	A	1138	1077	0.03
32	A	1093	1034	0.84
33	A	1043	987	1.85
34	A	837	792	12.46
35	A	444	420	2.29
36	A	263	249	1.39
37	A	177	168	0.84
38	A	119	113	0.33
39	A	92	87	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.509	0.502	0.000
H2	-1.975	-0.486	0.000
H3	-1.871	1.048	0.882
H4	-1.871	1.048	-0.882
C5	0.265	-2.101	0.000
H6	0.645	-2.634	-0.882
H7	0.645	-2.634	0.882
H8	-0.825	-2.192	0.000
C9	0.736	-0.672	0.000
H10	1.823	-0.557	0.000
C11	0.000	0.450	0.000
C12	0.664	1.806	0.000
H13	1.757	1.721	0.000
H14	0.366	2.389	0.883
H15	0.366	2.389	-0.883

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0927	1.0988	1.0988	3.1502	3.9051	3.9051	2.7795	2.5339	3.4961	1.5096	2.5345	3.4854	2.8023	2.8023
H2	1.0927		1.7725	1.7725	2.7620	3.5012	3.5012	2.0578	2.7183	3.7991	2.1857	3.4962	4.3358	3.8112	3.8112
H3	1.0988	1.7725		1.7643	3.9063	4.7957	4.4593	3.5171	3.2462	4.1233	2.1534	2.7896	3.7935	2.6079	3.1490
H4	1.0988	1.7725	1.7643		3.9063	4.4593	4.7957	3.5171	3.2462	4.1233	2.1534	2.7896	3.7935	3.1490	2.6079
C5	3.1502	2.7620	3.9063	3.9063		1.0983	1.0983	1.0933	1.5048	2.1939	2.5648	3.9282	4.1034	4.5776	4.5776
H6	3.9051	3.5012	4.7957	4.4593	1.0983		1.7646	1.7704	2.1524	2.5451	3.2712	4.5268	4.5801	5.3311	5.0304
H7	3.9051	3.5012	4.4593	4.7957	1.0983	1.7646		1.7704	2.1524	2.5451	3.2712	4.5268	4.5801	5.0304	5.3311
H8	2.7795	2.0578	3.5171	3.5171	1.0933	1.7704	1.7704		2.1786	3.1118	2.7673	4.2666	4.6878	4.8148	4.8148
C9	2.5339	2.7183	3.2462	3.2462	1.5048	2.1524	2.1524	2.1786		1.0926	1.3422	2.4799	2.6019	3.2078	3.2078
H10	3.4961	3.7991	4.1233	4.1233	2.1939	2.5451	2.5451	3.1118	1.0926		2.0826	2.6323	2.2793	3.4035	3.4035
C11	1.5096	2.1857	2.1534	2.1534	2.5648	3.2712	3.2712	2.7673	1.3422	2.0826		1.5107	2.1685	2.1620	2.1620
C12	2.5345	3.4962	2.7896	2.7896	3.9282	4.5268	4.5268	4.2666	2.4799	2.6323	1.5107		1.0954	1.0991	1.0991
H13	3.4854	4.3358	3.7935	3.7935	4.1034	4.5801	4.5801	4.6878	2.6019	2.2793	2.1685	1.0954		1.7776	1.7776
H14	2.8023	3.8112	2.6079	3.1490	4.5776	5.3311	5.0304	4.8148	3.2078	3.4035	2.1620	1.0991	1.7776		1.7654
H15	2.8023	3.8112	3.1490	2.6079	4.5776	5.0304	5.3311	4.8148	3.2078	3.4035	2.1620	1.0991	1.7776	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.271	C1	C11	C12	114.100
H2	C1	H3	107.961	H2	C1	H4	107.961
H2	C1	C11	113.292	H3	C1	H4	106.794
H3	C1	C11	110.292	H4	C1	C11	110.292
C5	C9	H10	114.327	C5	C9	C11	128.452
H6	C5	H7	106.903	H6	C5	H8	107.761
H6	C5	C9	110.577	H7	C5	H8	107.761
H7	C5	C9	110.577	H8	C5	C9	113.014
C9	C11	C12	120.629	H10	C9	C11	117.222
C11	C12	H13	111.631	C11	C12	H14	110.890
C11	C12	H15	110.890	H13	C12	H14	108.197
H13	C12	H15	108.197	H14	C12	H15	106.857

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)

using model chemistry: CCD/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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All results from a given calculation for C5H10 (2-Butene, 2-methyl-)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀ (2-Butene, 2-methyl-)