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	hartrees
Energy at 0K	-195.908988
Energy at 298.15K	-195.919178
HF Energy	-195.163255
Nuclear repulsion energy	176.186766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3322	3120	17.19
2	A	3225	3029	15.27
3	A	3222	3026	22.94
4	A	3216	3021	23.04
5	A	3213	3018	30.82
6	A	3188	2994	18.60
7	A	3166	2973	15.72
8	A	3119	2929	28.19
9	A	3107	2918	23.42
10	A	3100	2911	29.25
11	A	1730	1625	10.48
12	A	1554	1460	1.23
13	A	1548	1454	8.66
14	A	1542	1448	11.81
15	A	1531	1438	10.83
16	A	1518	1426	3.37
17	A	1488	1398	0.44
18	A	1453	1364	4.60
19	A	1451	1362	5.08
20	A	1390	1305	1.50
21	A	1341	1260	1.10
22	A	1304	1225	1.15
23	A	1142	1073	1.50
24	A	1123	1055	4.76
25	A	1077	1011	0.29
26	A	1055	990	0.64
27	A	1023	961	0.50
28	A	971	912	1.15
29	A	894	839	52.50
30	A	816	766	1.43
31	A	797	749	0.71
32	A	731	687	0.23
33	A	530	498	7.39
34	A	433	407	1.52
35	A	401	376	0.89
36	A	272	256	0.16
37	A	226	212	0.77
38	A	181	170	0.43
39	A	74	70	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.936	1.348	0.037
H2	0.340	1.868	-0.713
H3	1.987	1.487	-0.211
H4	0.740	1.832	0.995
C5	-1.896	0.073	-0.389
H6	-1.899	1.161	-0.425
H7	-2.882	-0.250	-0.060
H8	-1.736	-0.299	-1.401
C9	-0.812	-0.455	0.552
H10	-0.901	-1.538	0.639
H11	-0.975	-0.039	1.551
C12	0.583	-0.112	0.099
C13	1.465	-1.068	-0.236
H14	1.203	-2.116	-0.187
H15	2.466	-0.824	-0.563

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0902	1.0883	1.0916	3.1344	2.8782	4.1402	3.4524	2.5629	3.4741	2.8051	1.5034	2.4880	3.4813	2.7235
H2	1.0902		1.7634	1.7554	2.8850	2.3652	3.9107	3.0787	2.8846	3.8695	3.2393	2.1541	3.1800	4.1102	3.4336
H3	1.0883	1.7634		1.7680	4.1357	3.9050	5.1718	4.2975	3.4904	4.2683	3.7688	2.1508	2.6083	3.6880	2.3866
H4	1.0916	1.7554	1.7680		3.4580	3.0711	4.3092	4.0515	2.7986	3.7656	2.5983	2.1463	3.2327	4.1470	3.5299
C5	3.1344	2.8850	4.1357	3.4580		1.0885	1.0892	1.0895	1.5296	2.1550	2.1507	2.5329	3.5523	3.7991	4.4568
H6	2.8782	2.3652	3.9050	3.0711	1.0885		1.7581	1.7638	2.1787	3.0684	2.4898	2.8379	4.0396	4.5184	4.7973
H7	4.1402	3.9107	5.1718	4.3092	1.0892	1.7581		1.7647	2.1690	2.4647	2.5056	3.4715	4.4271	4.4931	5.4031
H8	3.4524	3.0787	4.2975	4.0515	1.0895	1.7638	1.7647		2.1660	2.5286	3.0593	2.7681	3.4919	3.6621	4.3173
C9	2.5629	2.8846	3.4904	2.7986	1.5296	2.1787	2.1690	2.1660		1.0910	1.0942	1.5054	2.4859	2.7136	3.4821
H10	3.4741	3.8695	4.2683	3.7656	2.1550	3.0684	2.4647	2.5286	1.0910		1.7562	2.1279	2.5664	2.3329	3.6466
H11	2.8051	3.2393	3.7688	2.5983	2.1507	2.4898	2.5056	3.0593	1.0942	1.7562		2.1304	3.1944	3.4749	4.1142
C12	1.5034	2.1541	2.1508	2.1463	2.5329	2.8379	3.4715	2.7681	1.5054	2.1279	2.1304		1.3433	2.1171	2.1198
C13	2.4880	3.1800	2.6083	3.2327	3.5523	4.0396	4.4271	3.4919	2.4859	2.5664	3.1944	1.3433		1.0815	1.0816
H14	3.4813	4.1102	3.6880	4.1470	3.7991	4.5184	4.4931	3.6621	2.7136	2.3329	3.4749	2.1171	1.0815		1.8464
H15	2.7235	3.4336	2.3866	3.5299	4.4568	4.7973	5.4031	4.3173	3.4821	3.6466	4.1142	2.1198	1.0816	1.8464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.815	C1	C12	C13	121.753
H2	C1	H3	108.087	H2	C1	H4	107.138
H2	C1	C12	111.308	H3	C1	H4	108.401
H3	C1	C12	111.160	H4	C1	C12	110.598
C5	C9	H10	109.497	C5	C9	H11	108.972
C5	C9	C12	113.138	H6	C5	H7	107.667
H6	C5	H8	108.157	H6	C5	C9	111.536
H7	C5	H8	108.186	H7	C5	C9	110.713
H8	C5	C9	110.457	C9	C12	C13	121.431
H10	C9	H11	106.964	H10	C9	C12	109.037
H11	C9	C12	109.045	C12	C13	H14	121.263
C12	C13	H15	121.528	H14	C13	H15	117.209

All results from a given calculation for C₅H₁₀ (1-Butene, 2-methyl-)

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

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 (1-Butene, 2-methyl-)

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

States and conformations

All results from a given calculation for C₅H₁₀ (1-Butene, 2-methyl-)