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	hartrees
Energy at 0K	-196.078491
Energy at 298.15K	-196.088615
HF Energy	-195.219626
Nuclear repulsion energy	176.505726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3272	3113	12.27
2	A	3177	3022	9.84
3	A	3172	3018	16.51
4	A	3169	3015	24.71
5	A	3165	3012	23.12
6	A	3138	2986	14.56
7	A	3124	2972	10.92
8	A	3078	2929	23.31
9	A	3067	2918	18.74
10	A	3064	2915	21.61
11	A	1708	1625	12.02
12	A	1521	1448	1.88
13	A	1516	1442	6.21
14	A	1507	1434	12.34
15	A	1497	1425	12.41
16	A	1484	1412	1.43
17	A	1457	1387	0.38
18	A	1414	1345	6.36
19	A	1410	1342	3.31
20	A	1357	1292	0.74
21	A	1316	1252	1.02
22	A	1281	1219	0.94
23	A	1118	1063	1.02
24	A	1100	1047	4.38
25	A	1058	1007	0.20
26	A	1038	988	0.70
27	A	1000	952	0.78
28	A	956	910	1.64
29	A	915	870	41.69
30	A	804	765	1.53
31	A	787	748	0.96
32	A	731	695	0.23
33	A	532	507	7.09
34	A	427	407	1.71
35	A	393	374	0.75
36	A	267	254	0.17
37	A	224	213	0.60
38	A	182	174	0.22
39	A	61	58	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.951	1.338	0.028
H2	0.320	1.867	-0.687
H3	1.988	1.464	-0.274
H4	0.810	1.819	0.998
C5	-1.884	0.070	-0.401
H6	-1.849	1.152	-0.515
H7	-2.877	-0.195	-0.042
H8	-1.744	-0.378	-1.383
C9	-0.813	-0.425	0.571
H10	-0.913	-1.502	0.708
H11	-0.974	0.043	1.545
C12	0.581	-0.115	0.105
C13	1.439	-1.082	-0.235
H14	1.163	-2.127	-0.176
H15	2.439	-0.857	-0.580

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0904	1.0880	1.0912	3.1345	2.8582	4.1240	3.4925	2.5521	3.4644	2.7717	1.5011	2.4830	3.4773	2.7207
H2	1.0904		1.7654	1.7551	2.8573	2.2901	3.8582	3.1276	2.8489	3.8490	3.1595	2.1497	3.1864	4.1132	3.4526
H3	1.0880	1.7654		1.7697	4.1172	3.8577	5.1457	4.3071	3.4826	4.2638	3.7554	2.1484	2.6048	3.6855	2.3835
H4	1.0912	1.7551	1.7697		3.5026	3.1309	4.3279	4.1250	2.8019	3.7523	2.5758	2.1420	3.2142	4.1315	3.5073
C5	3.1345	2.8573	4.1172	3.5026		1.0887	1.0889	1.0891	1.5283	2.1552	2.1487	2.5230	3.5211	3.7631	4.4253
H6	2.8582	2.2901	3.8577	3.1309	1.0887		1.7594	1.7630	2.1773	3.0691	2.4986	2.8101	3.9858	4.4656	4.7365
H7	4.1240	3.8582	5.1457	4.3279	1.0889	1.7594		1.7654	2.1654	2.4758	2.4902	3.4624	4.4109	4.4803	5.3847
H8	3.4925	3.1276	4.3071	4.1250	1.0891	1.7630	1.7654		2.1648	2.5156	3.0574	2.7728	3.4562	3.6004	4.2865
C9	2.5521	2.8489	3.4826	2.8019	1.5283	2.1773	2.1654	2.1648		1.0904	1.0931	1.5024	2.4807	2.7127	3.4770
H10	3.4644	3.8490	4.2638	3.7523	2.1552	3.0691	2.4758	2.5156	1.0904		1.7579	2.1264	2.5691	2.3418	3.6493
H11	2.7717	3.1595	3.7554	2.5758	2.1487	2.4986	2.4902	3.0574	1.0931	1.7579		2.1255	3.2027	3.4981	4.1201
C12	1.5011	2.1497	2.1484	2.1420	2.5230	2.8101	3.4624	2.7728	1.5024	2.1264	2.1255		1.3370	2.1131	2.1149
C13	2.4830	3.1864	2.6048	3.2142	3.5211	3.9858	4.4109	3.4562	2.4807	2.5691	3.2027	1.3370		1.0820	1.0819
H14	3.4773	4.1132	3.6855	4.1315	3.7631	4.4656	4.4803	3.6004	2.7127	2.3418	3.4981	2.1131	1.0820		1.8455
H15	2.7207	3.4526	2.3835	3.5073	4.4253	4.7365	5.3847	4.2865	3.4770	3.6493	4.1201	2.1149	1.0819	1.8455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.365	C1	C12	C13	121.960
H2	C1	H3	108.276	H2	C1	H4	107.125
H2	C1	C12	111.113	H3	C1	H4	108.595
H3	C1	C12	111.153	H4	C1	C12	110.446
C5	C9	H10	109.645	C5	C9	H11	108.983
C5	C9	C12	112.713	H6	C5	H7	107.792
H6	C5	H8	108.104	H6	C5	C9	111.503
H7	C5	H8	108.307	H7	C5	C9	110.542
H8	C5	C9	110.478	C9	C12	C13	121.672
H10	C9	H11	107.244	H10	C9	C12	109.166
H11	C9	C12	108.937	C12	C13	H14	121.388
C12	C13	H15	121.566	H14	C13	H15	117.046

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

using model chemistry: MP2/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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All results from a given calculation for C5H10 (1-Butene, 2-methyl-)

using model chemistry: MP2/Def2TZVPP

States and conformations

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