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	hartrees
Energy at 0K	-196.513390
Energy at 298.15K	-196.523145
Nuclear repulsion energy	172.929115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3036	74.86
2	A	3149	3027	39.65
3	A	3135	3013	6.54
4	A	3130	3009	22.87
5	A	3027	2909	15.19
6	A	3023	2906	87.00
7	A	3016	2899	34.53
8	A	1747	1679	2.87
9	A	1525	1465	16.75
10	A	1522	1463	9.48
11	A	1509	1451	3.98
12	A	1450	1394	5.79
13	A	1441	1385	14.19
14	A	1434	1378	14.28
15	A	1397	1343	1.50
16	A	1253	1205	6.00
17	A	1145	1101	12.18
18	A	1082	1040	11.83
19	A	981	943	2.48
20	A	971	934	2.06
21	A	770	740	2.41
22	A	527	506	2.60
23	A	382	367	0.68
24	A	300	289	0.19
25	A	3087	2967	61.28
26	A	3085	2965	49.64
27	A	3081	2961	3.31
28	A	1518	1459	34.34
29	A	1513	1454	0.74
30	A	1502	1444	2.89
31	A	1121	1078	3.54
32	A	1080	1038	0.49
33	A	1031	991	4.70
34	A	851	818	22.84
35	A	457	439	4.68
36	A	260	250	2.97
37	A	177	171	1.99
38	A	128	123	0.01
39	A	110	105	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	-1.518	0.497	0.000
H2	-1.977	-0.496	0.000
H3	-1.888	1.040	0.883
H4	-1.888	1.040	-0.883
C5	0.269	-2.115	0.000
H6	0.649	-2.649	-0.883
H7	0.649	-2.649	0.883
H8	-0.822	-2.204	0.000
C9	0.745	-0.677	0.000
H10	1.832	-0.561	0.000
C11	0.000	0.456	0.000
C12	0.664	1.824	0.000
H13	1.757	1.746	0.000
H14	0.363	2.408	0.883
H15	0.363	2.408	-0.883

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0938	1.1006	1.1006	3.1648	3.9217	3.9217	2.7894	2.5495	3.5128	1.5185	2.5537	3.5052	2.8232	2.8232
H2	1.0938		1.7739	1.7739	2.7684	3.5090	3.5090	2.0617	2.7275	3.8088	2.1936	3.5148	4.3550	3.8324	3.8324
H3	1.1006	1.7739		1.7657	3.9227	4.8138	4.4782	3.5271	3.2653	4.1450	2.1649	2.8121	3.8168	2.6346	3.1717
H4	1.1006	1.7739	1.7657		3.9227	4.4782	4.8138	3.5271	3.2653	4.1450	2.1649	2.8121	3.8168	3.1717	2.6346
C5	3.1648	2.7684	3.9227	3.9227		1.1002	1.1002	1.0948	1.5143	2.2038	2.5844	3.9585	4.1372	4.6093	4.6093
H6	3.9217	3.5090	4.8138	4.4782	1.1002		1.7661	1.7729	2.1633	2.5577	3.2931	4.5600	4.6179	5.3650	5.0659
H7	3.9217	3.5090	4.4782	4.8138	1.1002	1.7661		1.7729	2.1633	2.5577	3.2931	4.5600	4.6179	5.0659	5.3650
H8	2.7894	2.0617	3.5271	3.5271	1.0948	1.7729	1.7729		2.1878	3.1213	2.7837	4.2933	4.7171	4.8431	4.8431
C9	2.5495	2.7275	3.2653	3.2653	1.5143	2.1633	2.1633	2.1878		1.0931	1.3557	2.5024	2.6256	3.2318	3.2318
H10	3.5128	3.8088	4.1450	4.1450	2.2038	2.5577	2.5577	3.1213	1.0931		2.0949	2.6554	2.3074	3.4279	3.4279
C11	1.5185	2.1936	2.1649	2.1649	2.5844	3.2931	3.2931	2.7837	1.3557	2.0949		1.5210	2.1800	2.1735	2.1735
C12	2.5537	3.5148	2.8121	2.8121	3.9585	4.5600	4.5600	4.2933	2.5024	2.6554	1.5210		1.0963	1.1007	1.1007
H13	3.5052	4.3550	3.8168	3.8168	4.1372	4.6179	4.6179	4.7171	2.6256	2.3074	2.1800	1.0963		1.7785	1.7785
H14	2.8232	3.8324	2.6346	3.1717	4.6093	5.3650	5.0659	4.8431	3.2318	3.4279	2.1735	1.1007	1.7785		1.7663
H15	2.8232	3.8324	3.1717	2.6346	4.6093	5.0659	5.3650	4.8431	3.2318	3.4279	2.1735	1.1007	1.7785	1.7663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.901	C1	C11	C12	114.314
H2	C1	H3	107.868	H2	C1	H4	107.868
H2	C1	C11	113.215	H3	C1	H4	106.669
H3	C1	C11	110.478	H4	C1	C11	110.478
C5	C9	H10	114.422	C5	C9	C11	128.357
H6	C5	H7	106.770	H6	C5	H8	107.742
H6	C5	C9	110.673	H7	C5	H8	107.742
H7	C5	C9	110.673	H8	C5	C9	112.982
C9	C11	C12	120.785	H10	C9	C11	117.221
C11	C12	H13	111.772	C11	C12	H14	110.989
C11	C12	H15	110.989	H13	C12	H14	108.091
H13	C12	H15	108.091	H14	C12	H15	106.708

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

using model chemistry: B3LYP/LANL2DZ

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	-0.737
2	H	0.211
3	H	0.203
4	H	0.203
5	C	-0.680
6	H	0.207
7	H	0.207
8	H	0.204
9	C	-0.295
10	H	0.197
11	C	0.402
12	C	-0.733
13	H	0.211
14	H	0.199
15	H	0.199

	x	y	z	Total
	-0.210	0.110	0.000	0.237
CHELPG
AIM
ESP

	x	y	z
x	10.375	-0.956	-0.003
y	-0.956	7.763	0.000
z	-0.003	0.000	5.714

<r²>	152.982
(<r²>)^1/2	12.369

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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