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	hartrees
Energy at 0K	-196.466536
Energy at 298.15K	-196.476645
Nuclear repulsion energy	175.534971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3102	20.92
2	A	3163	3026	10.54
3	A	3143	3007	25.96
4	A	3140	3004	30.03
5	A	3135	3000	39.32
6	A	3099	2965	24.79
7	A	3091	2957	14.58
8	A	3060	2928	28.32
9	A	3043	2911	26.90
10	A	3032	2901	29.70
11	A	1743	1668	14.54
12	A	1534	1468	2.89
13	A	1528	1462	6.26
14	A	1521	1455	11.27
15	A	1511	1446	10.71
16	A	1499	1434	2.90
17	A	1468	1404	0.37
18	A	1434	1372	4.59
19	A	1429	1367	3.30
20	A	1369	1310	1.71
21	A	1324	1267	2.08
22	A	1285	1230	1.80
23	A	1127	1079	0.40
24	A	1106	1058	6.35
25	A	1063	1017	1.35
26	A	1036	992	1.11
27	A	1009	965	1.16
28	A	955	914	1.29
29	A	920	881	45.70
30	A	806	771	1.93
31	A	784	751	1.49
32	A	727	696	0.14
33	A	536	513	5.91
34	A	431	412	1.64
35	A	397	380	0.67
36	A	263	251	0.14
37	A	224	215	0.45
38	A	183	175	0.30
39	A	68	65	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.992	1.329	0.024
H2	0.372	1.889	-0.689
H3	2.037	1.440	-0.283
H4	0.869	1.822	0.999
C5	-1.912	0.083	-0.394
H6	-1.884	1.171	-0.521
H7	-2.906	-0.177	-0.015
H8	-1.796	-0.373	-1.383
C9	-0.821	-0.409	0.566
H10	-0.935	-1.489	0.717
H11	-0.978	0.062	1.549
C12	0.585	-0.118	0.097
C13	1.429	-1.102	-0.231
H14	1.137	-2.148	-0.173
H15	2.443	-0.898	-0.570

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0977	1.0943	1.0988	3.1874	2.9317	4.1798	3.5566	2.5694	3.4837	2.7947	1.5053	2.4831	3.4860	2.7238
H2	1.0977		1.7709	1.7603	2.9262	2.3736	3.9336	3.2089	2.8768	3.8849	3.1882	2.1657	3.2043	4.1408	3.4738
H3	1.0943	1.7709		1.7752	4.1763	3.9371	5.2078	4.3797	3.5077	4.2903	3.7867	2.1627	2.6135	3.7005	2.3902
H4	1.0988	1.7603	1.7752		3.5631	3.2114	4.3910	4.1943	2.8319	3.7809	2.6097	2.1579	3.2206	4.1477	3.5120
C5	3.1874	2.9262	4.1763	3.5631		1.0956	1.0958	1.0957	1.5338	2.1588	2.1555	2.5530	3.5485	3.7846	4.4672
H6	2.9317	2.3736	3.9371	3.2114	1.0956		1.7664	1.7709	2.1925	3.0838	2.5170	2.8536	4.0282	4.5018	4.7965
H7	4.1798	3.9336	5.2078	4.3910	1.0958	1.7664		1.7731	2.1770	2.4784	2.4945	3.4942	4.4381	4.5008	5.4259
H8	3.5566	3.2089	4.3797	4.1943	1.0957	1.7709	1.7731		2.1794	2.5292	3.0746	2.8152	3.5008	3.6354	4.3475
C9	2.5694	2.8768	3.5077	2.8319	1.5338	2.1925	2.1770	2.1794		1.0967	1.1007	1.5108	2.4858	2.7213	3.4903
H10	3.4837	3.8849	4.2903	3.7809	2.1588	3.0838	2.4784	2.5292	1.0967		1.7602	2.1389	2.5764	2.3494	3.6625
H11	2.7947	3.1882	3.7867	2.6097	2.1555	2.5170	2.4945	3.0746	1.1007	1.7602		2.1406	3.2115	3.5098	4.1362
C12	1.5053	2.1657	2.1627	2.1579	2.5530	2.8536	3.4942	2.8152	1.5108	2.1389	2.1406		1.3367	2.1208	2.1220
C13	2.4831	3.2043	2.6135	3.2206	3.5485	4.0282	4.4381	3.5008	2.4858	2.5764	3.2115	1.3367		1.0880	1.0879
H14	3.4860	4.1408	3.7005	4.1477	3.7846	4.5018	4.5008	3.6354	2.7213	2.3494	3.5098	2.1208	1.0880		1.8505
H15	2.7238	3.4738	2.3902	3.5120	4.4672	4.7965	5.4259	4.3475	3.4903	3.6625	4.1362	2.1220	1.0879	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.838	C1	C12	C13	121.676
H2	C1	H3	107.780	H2	C1	H4	106.527
H2	C1	C12	111.648	H3	C1	H4	108.085
H3	C1	C12	111.620	H4	C1	C12	110.956
C5	C9	H10	109.171	C5	C9	H11	108.687
C5	C9	C12	113.966	H6	C5	H7	107.426
H6	C5	H8	107.831	H6	C5	C9	111.907
H7	C5	H8	108.007	H7	C5	C9	110.657
H8	C5	C9	110.849	C9	C12	C13	121.486
H10	C9	H11	106.455	H10	C9	C12	109.195
H11	C9	C12	109.097	C12	C13	H14	121.675
C12	C13	H15	121.795	H14	C13	H15	116.529

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.574	-0.356
2	H	0.179	0.107
3	H	0.177	0.108
4	H	0.174	0.101
5	C	-0.510	-0.143
6	H	0.168	0.041
7	H	0.169	0.036
8	H	0.175	0.049
9	C	-0.372	0.005
10	H	0.167	0.025
11	H	0.164	0.024
12	C	0.219	0.205
13	C	-0.444	-0.606
14	H	0.154	0.195
15	H	0.154	0.210

	x	y	z	Total
	-0.345	0.360	0.101	0.508
CHELPG
AIM
ESP	-0.317	0.373	0.096	0.499

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	143.388
(<r²>)^1/2	11.974

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

using model chemistry: B3PW91/6-31G*

States and conformations

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