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	hartrees
Energy at 0K	-195.218005
Energy at 298.15K	-195.228132
HF Energy	-195.218005
Nuclear repulsion energy	175.179649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	2964	67.01
2	A'	3267	2955	18.29
3	A'	3244	2935	9.24
4	A'	3232	2924	26.64
5	A'	3152	2852	6.64
6	A'	3149	2849	110.39
7	A'	3142	2842	25.59
8	A'	1881	1702	3.31
9	A'	1615	1461	6.94
10	A'	1614	1460	6.16
11	A'	1599	1447	1.52
12	A'	1549	1401	0.47
13	A'	1542	1395	1.85
14	A'	1537	1390	3.18
15	A'	1486	1344	5.29
16	A'	1329	1202	3.44
17	A'	1213	1097	8.53
18	A'	1148	1038	2.24
19	A'	1039	940	0.76
20	A'	1023	926	3.46
21	A'	810	732	1.23
22	A'	558	504	1.63
23	A'	410	371	0.44
24	A'	317	286	0.22
25	A"	3185	2881	66.09
26	A"	3184	2881	28.10
27	A"	3179	2876	7.16
28	A"	1611	1457	16.85
29	A"	1601	1449	1.18
30	A"	1591	1439	0.76
31	A"	1206	1091	0.23
32	A"	1167	1056	5.26
33	A"	1106	1000	3.09
34	A"	913	826	13.20
35	A"	500	452	4.09
36	A"	287	260	2.11
37	A"	198	180	1.27
38	A"	141	128	0.35
39	A"	125	113	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.505	0.490	0.000
H2	-1.966	-0.485	0.000
H3	-1.863	1.030	0.872
H4	-1.863	1.030	-0.872
C5	0.277	-2.091	0.000
H6	0.664	-2.609	-0.872
H7	0.664	-2.609	0.872
H8	-0.797	-2.201	0.000
C9	0.730	-0.659	0.000
H10	1.801	-0.537	0.000
C11	0.000	0.443	0.000
C12	0.653	1.801	0.000
H13	1.733	1.729	0.000
H14	0.351	2.373	0.872
H15	0.351	2.373	-0.872

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0785	1.0860	1.0860	3.1366	3.8823	3.8823	2.7830	2.5135	3.4621	1.5062	2.5258	3.4667	2.7846	2.7846
H2	1.0785		1.7510	1.7510	2.7585	3.4913	3.4913	2.0765	2.7016	3.7672	2.1739	3.4768	4.3103	3.7815	3.7815
H3	1.0860	1.7510		1.7435	3.8832	4.7613	4.4306	3.5125	3.2150	4.0791	2.1391	2.7725	3.7650	2.5897	3.1222
H4	1.0860	1.7510	1.7435		3.8832	4.4306	4.7613	3.5125	3.2150	4.0791	2.1391	2.7725	3.7650	3.1222	2.5897
C5	3.1366	2.7585	3.8832	3.8832		1.0856	1.0856	1.0795	1.5020	2.1766	2.5487	3.9103	4.0876	4.5493	4.5493
H6	3.8823	3.4913	4.7613	4.4306	1.0856		1.7435	1.7496	2.1373	2.5193	3.2427	4.4958	4.5518	5.2883	4.9924
H7	3.8823	3.4913	4.4306	4.7613	1.0856	1.7435		1.7496	2.1373	2.5193	3.2427	4.4958	4.5518	4.9924	5.2883
H8	2.7830	2.0765	3.5125	3.5125	1.0795	1.7496	1.7496		2.1703	3.0853	2.7615	4.2571	4.6736	4.7964	4.7964
C9	2.5135	2.7016	3.2150	3.2150	1.5020	2.1373	2.1373	2.1703		1.0778	1.3215	2.4613	2.5895	3.1779	3.1779
H10	3.4621	3.7672	4.0791	4.0791	2.1766	2.5193	2.5193	3.0853	1.0778		2.0500	2.6045	2.2666	3.3663	3.3663
C11	1.5062	2.1739	2.1391	2.1391	2.5487	3.2427	3.2427	2.7615	1.3215	2.0500		1.5074	2.1575	2.1474	2.1474
C12	2.5258	3.4768	2.7725	2.7725	3.9103	4.4958	4.4958	4.2571	2.4613	2.6045	1.5074		1.0815	1.0862	1.0862
H13	3.4667	4.3103	3.7650	3.7650	4.0876	4.5518	4.5518	4.6736	2.5895	2.2666	2.1575	1.0815		1.7563	1.7563
H14	2.7846	3.7815	2.5897	3.1222	4.5493	5.2883	4.9924	4.7964	3.1779	3.3663	2.1474	1.0862	1.7563		1.7447
H15	2.7846	3.7815	3.1222	2.5897	4.5493	4.9924	5.2883	4.7964	3.1779	3.3663	2.1474	1.0862	1.7563	1.7447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.332	C1	C11	C12	113.881
H2	C1	H3	107.997	H2	C1	H4	107.997
H2	C1	C11	113.475	H3	C1	H4	106.786
H3	C1	C11	110.167	H4	C1	C11	110.167
C5	C9	H10	114.063	C5	C9	C11	128.912
H6	C5	H7	106.842	H6	C5	H8	107.820
H6	C5	C9	110.338	H7	C5	H8	107.820
H7	C5	C9	110.338	H8	C5	C9	113.423
C9	C11	C12	120.786	H10	C9	C11	117.025
C11	C12	H13	111.841	C11	C12	H14	110.736
C11	C12	H15	110.736	H13	C12	H14	108.244
H13	C12	H15	108.244	H14	C12	H15	106.860

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.651
2	H	0.182
3	H	0.241
4	H	0.241
5	C	-1.348
6	H	0.248
7	H	0.248
8	H	0.282
9	C	-0.366
10	H	0.607
11	C	1.946
12	C	-1.431
13	H	0.301
14	H	0.249
15	H	0.249

	x	y	z	Total
	-0.208	0.062	0.000	0.217
CHELPG
AIM
ESP

	x	y	z
x	9.108	-1.015	0.000
y	-1.015	11.267	0.000
z	0.000	0.000	7.193

<r²>	150.318
(<r²>)^1/2	12.260

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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