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	hartrees
Energy at 0K	-195.220525
Energy at 298.15K	-195.231002
HF Energy	-195.220525
Nuclear repulsion energy	176.529165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3353	3039	23.39
2	A	3278	2971	12.07
3	A	3241	2938	29.76
4	A	3230	2928	66.57
5	A	3219	2918	57.82
6	A	3204	2904	23.17
7	A	3197	2898	15.67
8	A	3163	2867	35.63
9	A	3157	2861	33.83
10	A	3145	2851	27.76
11	A	1845	1673	30.49
12	A	1628	1475	3.90
13	A	1618	1467	5.37
14	A	1615	1463	11.14
15	A	1607	1456	7.64
16	A	1596	1446	3.60
17	A	1569	1422	0.31
18	A	1537	1393	2.76
19	A	1532	1389	2.46
20	A	1477	1338	3.83
21	A	1417	1284	1.43
22	A	1374	1246	1.58
23	A	1214	1100	0.76
24	A	1190	1078	3.55
25	A	1138	1031	0.83
26	A	1088	986	0.13
27	A	1083	982	0.75
28	A	1045	947	53.99
29	A	1002	908	1.03
30	A	857	777	1.19
31	A	820	743	0.68
32	A	781	708	0.16
33	A	583	529	8.05
34	A	467	424	1.94
35	A	425	385	0.93
36	A	280	254	0.38
37	A	241	218	0.40
38	A	196	178	0.12
39	A	71	64	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.010	1.317	0.022
H2	0.412	1.869	-0.694
H3	2.048	1.407	-0.269
H4	0.882	1.800	0.985
C5	-1.908	0.095	-0.393
H6	-1.875	1.169	-0.525
H7	-2.890	-0.158	-0.012
H8	-1.797	-0.367	-1.367
C9	-0.822	-0.396	0.568
H10	-0.943	-1.460	0.727
H11	-0.965	0.083	1.533
C12	0.585	-0.125	0.094
C13	1.405	-1.105	-0.231
H14	1.103	-2.135	-0.171
H15	2.407	-0.915	-0.567

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0841	1.0812	1.0856	3.1910	2.9406	4.1703	3.5557	2.5674	3.4679	2.7762	1.5054	2.4670	3.4583	2.6983
H2	1.0841		1.7525	1.7453	2.9357	2.3974	3.9338	3.2135	2.8714	3.8648	3.1690	2.1511	3.1694	4.0963	3.4276
H3	1.0812	1.7525		1.7569	4.1697	3.9386	5.1866	4.3741	3.4915	4.2615	3.7518	2.1493	2.5937	3.6669	2.3689
H4	1.0856	1.7453	1.7569		3.5487	3.2066	4.3657	4.1721	2.8113	3.7456	2.5806	2.1428	3.1930	4.1074	3.4802
C5	3.1910	2.9357	4.1697	3.5487		1.0829	1.0836	1.0836	1.5306	2.1452	2.1447	2.5496	3.5267	3.7531	4.4348
H6	2.9406	2.3974	3.9386	3.2066	1.0829		1.7476	1.7530	2.1800	3.0575	2.4987	2.8480	4.0018	4.4621	4.7625
H7	4.1703	3.9338	5.1866	4.3657	1.0836	1.7476		1.7542	2.1609	2.4562	2.4804	3.4772	4.4036	4.4590	5.3799
H8	3.5557	3.2135	4.3741	4.1721	1.0836	1.7530	1.7542		2.1670	2.5121	3.0507	2.8046	3.4763	3.6010	4.3140
C9	2.5674	2.8714	3.4915	2.8113	1.5306	2.1800	2.1609	2.1670		1.0827	1.0868	1.5098	2.4701	2.6978	3.4624
H10	3.4679	3.8648	4.2615	3.7456	2.1452	3.0575	2.4562	2.5121	1.0827		1.7414	2.1258	2.5606	2.3346	3.6328
H11	2.7762	3.1690	3.7518	2.5806	2.1447	2.4987	2.4804	3.0507	1.0868	1.7414		2.1255	3.1842	3.4786	4.0962
C12	1.5054	2.1511	2.1493	2.1428	2.5496	2.8480	3.4772	2.8046	1.5098	2.1258	2.1255		1.3180	2.0919	2.0929
C13	2.4670	3.1694	2.5937	3.1930	3.5267	4.0018	4.4036	3.4763	2.4701	2.5606	3.1842	1.3180		1.0743	1.0743
H14	3.4583	4.0963	3.6669	4.1074	3.7531	4.4621	4.4590	3.6010	2.6978	2.3346	3.4786	2.0919	1.0743		1.8286
H15	2.6983	3.4276	2.3689	3.4802	4.4348	4.7625	5.3799	4.3140	3.4624	3.6328	4.0962	2.0929	1.0743	1.8286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.748	C1	C12	C13	121.663
H2	C1	H3	108.065	H2	C1	H4	107.101
H2	C1	C12	111.298	H3	C1	H4	108.348
H3	C1	C12	111.332	H4	C1	C12	110.541
C5	C9	H10	109.145	C5	C9	H11	108.865
C5	C9	C12	113.975	H6	C5	H7	107.536
H6	C5	H8	108.021	H6	C5	C9	111.909
H7	C5	H8	108.076	H7	C5	C9	110.330
H8	C5	C9	110.822	C9	C12	C13	121.587
H10	C9	H11	106.767	H10	C9	C12	109.050
H11	C9	C12	108.792	C12	C13	H14	121.621
C12	C13	H15	121.725	H14	C13	H15	116.653

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.167
2	H	0.064
3	H	0.067
4	H	0.060
5	C	-0.184
6	H	0.048
7	H	0.061
8	H	0.059
9	C	-0.009
10	H	0.050
11	H	0.036
12	C	-0.034
13	C	-0.156
14	H	0.052
15	H	0.053

	x	y	z	Total
	-0.387	0.385	0.138	0.563
CHELPG
AIM
ESP

	x	y	z
x	9.793	-0.995	-0.454
y	-0.995	9.381	0.341
z	-0.454	0.341	7.254

<r²>	142.980
(<r²>)^1/2	11.957

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

using model chemistry: HF/Def2TZVPP

States and conformations

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