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	hartrees
Energy at 0K	-195.901469
Energy at 298.15K	-195.911247
HF Energy	-195.161216
Nuclear repulsion energy	174.751933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3040	31.99
2	A	3241	3028	23.12
3	A	3226	3014	24.35
4	A	3218	3007	7.00
5	A	3123	2919	18.94
6	A	3118	2913	38.00
7	A	3109	2905	24.98
8	A	1776	1660	0.46
9	A	1561	1459	9.23
10	A	1559	1457	1.12
11	A	1546	1445	1.17
12	A	1477	1380	1.03
13	A	1465	1369	0.65
14	A	1464	1368	4.99
15	A	1409	1316	2.68
16	A	1278	1194	3.51
17	A	1171	1094	5.65
18	A	1100	1028	5.65
19	A	1001	936	1.58
20	A	993	928	0.80
21	A	792	740	1.37
22	A	528	494	1.92
23	A	388	363	0.24
24	A	304	284	0.23
25	A	3196	2986	21.40
26	A	3190	2981	31.32
27	A	3187	2978	12.86
28	A	1551	1449	15.35
29	A	1543	1441	0.65
30	A	1531	1431	0.54
31	A	1135	1061	0.00
32	A	1086	1015	0.66
33	A	1045	976	1.85
34	A	836	781	11.25
35	A	438	409	1.98
36	A	265	248	1.18
37	A	182	170	0.98
38	A	123	115	0.48
39	A	95	89	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.501	0.498	0.000
H2	-1.961	-0.485	0.000
H3	-1.862	1.039	0.876
H4	-1.862	1.039	-0.876
C5	0.260	-2.091	0.000
H6	0.633	-2.623	-0.876
H7	0.633	-2.623	0.876
H8	-0.823	-2.171	0.000
C9	0.737	-0.673	0.000
H10	1.816	-0.553	0.000
C11	0.000	0.451	0.000
C12	0.662	1.800	0.000
H13	1.747	1.714	0.000
H14	0.365	2.378	0.876
H15	0.365	2.378	-0.876

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0853	1.0909	1.0909	3.1309	3.8802	3.8802	2.7533	2.5258	3.4797	1.5017	2.5249	3.4680	2.7906	2.7906
H2	1.0853		1.7607	1.7607	2.7405	3.4731	3.4731	2.0336	2.7047	3.7777	2.1729	3.4789	4.3109	3.7920	3.7920
H3	1.0909	1.7607		1.7515	3.8815	4.7642	4.4305	3.4855	3.2330	4.1024	2.1399	2.7779	3.7740	2.5987	3.1341
H4	1.0909	1.7607	1.7515		3.8815	4.4305	4.7642	3.4855	3.2330	4.1024	2.1399	2.7779	3.7740	3.1341	2.5987
C5	3.1309	2.7405	3.8815	3.8815		1.0903	1.0903	1.0857	1.4968	2.1881	2.5552	3.9119	4.0857	4.5560	4.5560
H6	3.8802	3.4731	4.7642	4.4305	1.0903		1.7518	1.7581	2.1401	2.5396	3.2577	4.5084	4.5625	5.3058	5.0082
H7	3.8802	3.4731	4.4305	4.7642	1.0903	1.7518		1.7581	2.1401	2.5396	3.2577	4.5084	4.5625	5.0082	5.3058
H8	2.7533	2.0336	3.4855	3.4855	1.0857	1.7581	1.7581		2.1631	3.0955	2.7477	4.2394	4.6581	4.7828	4.7828
C9	2.5258	2.7047	3.2330	3.2330	1.4968	2.1401	2.1401	2.1631		1.0855	1.3438	2.4737	2.5917	3.1962	3.1962
H10	3.4797	3.7777	4.1024	4.1024	2.1881	2.5396	2.5396	3.0955	1.0855		2.0752	2.6209	2.2688	3.3865	3.3865
C11	1.5017	2.1729	2.1399	2.1399	2.5552	3.2577	3.2577	2.7477	1.3438	2.0752		1.5029	2.1558	2.1488	2.1488
C12	2.5249	3.4789	2.7779	2.7779	3.9119	4.5084	4.5084	4.2394	2.4737	2.6209	1.5029		1.0877	1.0912	1.0912
H13	3.4680	4.3109	3.7740	3.7740	4.0857	4.5625	4.5625	4.6581	2.5917	2.2688	2.1558	1.0877		1.7655	1.7655
H14	2.7906	3.7920	2.5987	3.1341	4.5560	5.3058	5.0082	4.7828	3.1962	3.3865	2.1488	1.0912	1.7655		1.7523
H15	2.7906	3.7920	3.1341	2.5987	4.5560	5.0082	5.3058	4.7828	3.1962	3.3865	2.1488	1.0912	1.7655	1.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.070	C1	C11	C12	114.350
H2	C1	H3	108.012	H2	C1	H4	108.012
H2	C1	C11	113.283	H3	C1	H4	106.787
H3	C1	C11	110.251	H4	C1	C11	110.251
C5	C9	H10	114.922	C5	C9	C11	128.114
H6	C5	H7	106.908	H6	C5	H8	107.790
H6	C5	C9	110.651	H7	C5	H8	107.790
H7	C5	C9	110.651	H8	C5	C9	112.812
C9	C11	C12	120.580	H10	C9	C11	116.963
C11	C12	H13	111.633	C11	C12	H14	110.857
C11	C12	H15	110.857	H13	C12	H14	108.247
H13	C12	H15	108.247	H14	C12	H15	106.823

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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