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	hartrees
Energy at 0K	-196.479445
Energy at 298.15K	-196.489257
Nuclear repulsion energy	174.054526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3043	34.49
2	A	3147	3037	30.56
3	A	3134	3025	15.46
4	A	3130	3020	3.47
5	A	3030	2924	10.65
6	A	3027	2921	73.13
7	A	3020	2914	30.03
8	A	1762	1700	1.56
9	A	1466	1415	8.32
10	A	1463	1412	4.48
11	A	1447	1396	1.92
12	A	1402	1353	5.96
13	A	1396	1347	0.56
14	A	1388	1340	3.16
15	A	1344	1297	2.54
16	A	1238	1195	4.96
17	A	1133	1093	11.54
18	A	1061	1024	8.50
19	A	964	930	3.88
20	A	950	917	0.51
21	A	784	756	1.74
22	A	525	506	2.38
23	A	378	365	0.48
24	A	292	282	0.25
25	A	3085	2977	19.34
26	A	3085	2977	27.01
27	A	3081	2973	16.33
28	A	1458	1407	18.57
29	A	1450	1399	2.23
30	A	1438	1387	0.58
31	A	1085	1047	0.56
32	A	1045	1008	0.53
33	A	1000	965	2.42
34	A	824	795	10.33
35	A	454	439	3.06
36	A	265	256	1.60
37	A	186	179	1.52
38	A	150	144	0.00
39	A	127	122	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.503	0.491	0.000
H2	-1.965	-0.504	0.000
H3	-1.878	1.038	0.883
H4	-1.878	1.038	-0.883
C5	0.264	-2.092	0.000
H6	0.646	-2.634	-0.883
H7	0.646	-2.634	0.883
H8	-0.830	-2.187	0.000
C9	0.736	-0.672	0.000
H10	1.827	-0.548	0.000
C11	0.000	0.453	0.000
C12	0.661	1.805	0.000
H13	1.758	1.726	0.000
H14	0.360	2.395	0.884
H15	0.360	2.395	-0.884

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0977	1.1043	1.1043	3.1302	3.8945	3.8945	2.7611	2.5230	3.4881	1.5032	2.5313	3.4868	2.8063	2.8063
H2	1.0977		1.7794	1.7794	2.7366	3.4831	3.4831	2.0288	2.7058	3.7916	2.1855	3.4967	4.3398	3.8200	3.8200
H3	1.1043	1.7794		1.7666	3.8945	4.7931	4.4558	3.5035	3.2459	4.1256	2.1561	2.7957	3.8046	2.6175	3.1581
H4	1.1043	1.7794	1.7666		3.8945	4.4558	4.7931	3.5035	3.2459	4.1256	2.1561	2.7957	3.8046	3.1581	2.6175
C5	3.1302	2.7366	3.8945	3.8945		1.1041	1.1041	1.0989	1.4968	2.1967	2.5591	3.9173	4.1004	4.5747	4.5747
H6	3.8945	3.4831	4.7931	4.4558	1.1041		1.7661	1.7779	2.1536	2.5541	3.2753	4.5258	4.5856	5.3382	5.0374
H7	3.8945	3.4831	4.4558	4.7931	1.1041	1.7661		1.7779	2.1536	2.5541	3.2753	4.5258	4.5856	5.0374	5.3382
H8	2.7611	2.0288	3.5035	3.5035	1.0989	1.7779	1.7779		2.1792	3.1218	2.7673	4.2611	4.6917	4.8157	4.8157
C9	2.5230	2.7058	3.2459	3.2459	1.4968	2.1536	2.1536	2.1792		1.0977	1.3443	2.4777	2.6068	3.2138	3.2138
H10	3.4881	3.7916	4.1256	4.1256	2.1967	2.5541	2.5541	3.1218	1.0977		2.0832	2.6259	2.2756	3.4053	3.4053
C11	1.5032	2.1855	2.1561	2.1561	2.5591	3.2753	3.2753	2.7673	1.3443	2.0832		1.5047	2.1707	2.1639	2.1639
C12	2.5313	3.4967	2.7957	2.7957	3.9173	4.5258	4.5258	4.2611	2.4777	2.6259	1.5047		1.0997	1.1047	1.1047
H13	3.4868	4.3398	3.8046	3.8046	4.1004	4.5856	4.5856	4.6917	2.6068	2.2756	2.1707	1.0997		1.7841	1.7841
H14	2.8063	3.8200	2.6175	3.1581	4.5747	5.3382	5.0374	4.8157	3.2138	3.4053	2.1639	1.1047	1.7841		1.7674
H15	2.8063	3.8200	3.1581	2.6175	4.5747	5.0374	5.3382	4.8157	3.2138	3.4053	2.1639	1.1047	1.7841	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	124.659	C1	C11	C12	114.605
H2	C1	H3	107.811	H2	C1	H4	107.811
H2	C1	C11	113.417	H3	C1	H4	106.237
H3	C1	C11	110.626	H4	C1	C11	110.626
C5	C9	H10	114.834	C5	C9	C11	128.431
H6	C5	H7	106.210	H6	C5	H8	107.617
H6	C5	C9	110.888	H7	C5	H8	107.617
H7	C5	C9	110.888	H8	C5	C9	113.294
C9	C11	C12	120.736	H10	C9	C11	116.735
C11	C12	H13	111.973	C11	C12	H14	111.119
C11	C12	H15	111.119	H13	C12	H14	108.065
H13	C12	H15	108.065	H14	C12	H15	106.260

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

using model chemistry: B3PW91/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	-0.023
2	H	0.038
3	H	0.050
4	H	0.050
5	C	-0.036
6	H	0.053
7	H	0.053
8	H	0.036
9	C	-0.098
10	H	-0.007
11	C	-0.231
12	C	-0.016
13	H	0.034
14	H	0.047
15	H	0.047

	x	y	z	Total
	-0.207	0.061	0.000	0.216
CHELPG
AIM
ESP

<r²>	151.067
(<r²>)^1/2	12.291

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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