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	hartrees
Energy at 0K	-196.512764
Energy at 298.15K	-196.522539
Nuclear repulsion energy	174.457263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3167	3035	44.40
2	A	3161	3029	25.71
3	A	3147	3016	10.42
4	A	3145	3014	9.94
5	A	3042	2916	15.86
6	A	3039	2913	72.02
7	A	3033	2906	28.75
8	A	1768	1694	2.15
9	A	1477	1415	9.05
10	A	1474	1413	5.17
11	A	1458	1397	1.68
12	A	1410	1351	8.17
13	A	1401	1343	0.11
14	A	1394	1336	6.83
15	A	1353	1296	1.62
16	A	1246	1194	3.81
17	A	1139	1091	10.48
18	A	1066	1022	6.76
19	A	969	929	3.86
20	A	957	917	0.39
21	A	787	754	1.80
22	A	527	505	2.14
23	A	383	367	0.52
24	A	296	284	0.25
25	A	3098	2968	17.51
26	A	3095	2966	31.05
27	A	3092	2963	14.19
28	A	1467	1405	19.80
29	A	1455	1394	1.83
30	A	1445	1384	0.50
31	A	1085	1040	0.03
32	A	1046	1003	2.00
33	A	1000	958	2.95
34	A	818	784	12.78
35	A	455	436	3.74
36	A	267	255	1.88
37	A	188	180	1.42
38	A	122	117	0.63
39	A	110	105	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.501	0.486	0.000
H2	-1.956	-0.508	0.000
H3	-1.873	1.031	0.881
H4	-1.873	1.031	-0.881
C5	0.266	-2.088	0.000
H6	0.647	-2.625	-0.881
H7	0.647	-2.625	0.881
H8	-0.825	-2.178	0.000
C9	0.738	-0.668	0.000
H10	1.825	-0.544	0.000
C11	0.000	0.452	0.000
C12	0.656	1.804	0.000
H13	1.749	1.725	0.000
H14	0.352	2.389	0.882
H15	0.352	2.389	-0.882

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0937	1.1004	1.1004	3.1225	3.8822	3.8822	2.7491	2.5188	3.4815	1.5010	2.5269	3.4774	2.7979	2.7979
H2	1.0937		1.7751	1.7751	2.7267	3.4691	3.4691	2.0172	2.6984	3.7809	2.1789	3.4879	4.3256	3.8072	3.8072
H3	1.1004	1.7751		1.7623	3.8830	4.7769	4.4399	3.4887	3.2368	4.1143	2.1489	2.7868	3.7910	2.6063	3.1465
H4	1.1004	1.7751	1.7623		3.8830	4.4399	4.7769	3.4887	3.2368	4.1143	2.1489	2.7868	3.7910	3.1465	2.6063
C5	3.1225	2.7267	3.8830	3.8830		1.1000	1.1000	1.0949	1.4958	2.1936	2.5541	3.9114	4.0913	4.5636	4.5636
H6	3.8822	3.4691	4.7769	4.4399	1.1000		1.7624	1.7728	2.1478	2.5482	3.2657	4.5159	4.5733	5.3230	5.0226
H7	3.8822	3.4691	4.4399	4.7769	1.1000	1.7624		1.7728	2.1478	2.5482	3.2657	4.5159	4.5733	5.0226	5.3230
H8	2.7491	2.0172	3.4887	3.4887	1.0949	1.7728	1.7728		2.1728	3.1130	2.7567	4.2485	4.6755	4.7979	4.7979
C9	2.5188	2.6984	3.2368	3.2368	1.4958	2.1478	2.1478	2.1728		1.0941	1.3416	2.4738	2.5984	3.2052	3.2052
H10	3.4815	3.7809	4.1143	4.1143	2.1936	2.5482	2.5482	3.1130	1.0941		2.0791	2.6233	2.2709	3.3985	3.3985
C11	1.5010	2.1789	2.1489	2.1489	2.5541	3.2657	3.2657	2.7567	1.3416	2.0791		1.5024	2.1630	2.1568	2.1568
C12	2.5269	3.4879	2.7868	2.7868	3.9114	4.5159	4.5159	4.2485	2.4738	2.6233	1.5024		1.0959	1.1007	1.1007
H13	3.4774	4.3256	3.7910	3.7910	4.0913	4.5733	4.5733	4.6755	2.5984	2.2709	2.1630	1.0959		1.7800	1.7800
H14	2.7979	3.8072	2.6063	3.1465	4.5636	5.3230	5.0226	4.7979	3.2052	3.3985	2.1568	1.1007	1.7800		1.7633
H15	2.7979	3.8072	3.1465	2.6063	4.5636	5.0226	5.3230	4.7979	3.2052	3.3985	2.1568	1.1007	1.7800	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.670	C1	C11	C12	114.560
H2	C1	H3	107.996	H2	C1	H4	107.996
H2	C1	C11	113.288	H3	C1	H4	106.406
H3	C1	C11	110.439	H4	C1	C11	110.439
C5	C9	H10	114.887	C5	C9	C11	128.269
H6	C5	H7	106.474	H6	C5	H8	107.744
H6	C5	C9	110.747	H7	C5	H8	107.744
H7	C5	C9	110.747	H8	C5	C9	113.099
C9	C11	C12	120.769	H10	C9	C11	116.843
C11	C12	H13	111.752	C11	C12	H14	110.958
C11	C12	H15	110.958	H13	C12	H14	108.262
H13	C12	H15	108.262	H14	C12	H15	106.448

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.209
2	H	-0.266
3	H	0.041
4	H	0.041
5	C	0.042
6	H	0.040
7	H	0.040
8	H	-0.269
9	C	0.590
10	H	-0.730
11	C	0.210
12	C	0.339
13	H	-0.276
14	H	-0.006
15	H	-0.006

	x	y	z	Total
	-0.206	0.049	0.000	0.211
CHELPG
AIM
ESP

	x	y	z
x	9.752	-0.949	0.000
y	-0.949	12.127	0.000
z	0.000	0.000	7.546

<r²>	150.735
(<r²>)^1/2	12.277

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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