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	hartrees
Energy at 0K	-195.402707
Energy at 298.15K	-195.412855
Nuclear repulsion energy	175.411384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3235	3104	17.00
2	A	3154	3026	7.10
3	A	3143	3015	31.21
4	A	3136	3009	12.26
5	A	3131	3004	35.80
6	A	3098	2973	15.78
7	A	3096	2970	11.47
8	A	3059	2935	22.33
9	A	3047	2923	23.81
10	A	3042	2919	16.24
11	A	1732	1662	12.48
12	A	1565	1501	5.11
13	A	1562	1498	10.64
14	A	1552	1489	12.22
15	A	1545	1482	17.99
16	A	1530	1468	2.25
17	A	1493	1432	0.37
18	A	1455	1396	9.46
19	A	1446	1387	10.37
20	A	1365	1310	0.31
21	A	1340	1286	2.09
22	A	1292	1239	2.14
23	A	1144	1098	0.07
24	A	1123	1077	11.41
25	A	1083	1039	5.95
26	A	1037	994	1.75
27	A	1019	978	0.71
28	A	946	908	5.32
29	A	943	905	53.48
30	A	820	786	3.42
31	A	776	744	1.81
32	A	731	701	0.24
33	A	542	520	9.41
34	A	436	418	1.16
35	A	392	376	1.02
36	A	261	250	0.60
37	A	225	216	0.53
38	A	181	174	0.54
39	A	65	62	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.034	1.315	0.003
H2	0.385	1.882	-0.677
H3	2.062	1.381	-0.369
H4	0.986	1.803	0.987
C5	-1.892	0.081	-0.426
H6	-1.805	1.146	-0.669
H7	-2.904	-0.098	-0.043
H8	-1.760	-0.495	-1.348
C9	-0.833	-0.340	0.617
H10	-0.973	-1.400	0.866
H11	-0.981	0.241	1.539
C12	0.581	-0.125	0.110
C13	1.372	-1.146	-0.228
H14	1.040	-2.177	-0.138
H15	2.379	-0.989	-0.606

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0980	1.0949	1.0991	3.2044	2.9221	4.1838	3.5929	2.5690	3.4841	2.7522	1.5129	2.4948	3.4949	2.7359
H2	1.0980		1.7774	1.7708	2.9135	2.3097	3.8904	3.2711	2.8450	3.8718	3.0775	2.1644	3.2164	4.1468	3.4960
H3	1.0949	1.7774		1.7812	4.1625	3.8854	5.1913	4.3687	3.5085	4.2967	3.7682	2.1651	2.6230	3.7089	2.4021
H4	1.0991	1.7708	1.7812		3.6389	3.3103	4.4498	4.2746	2.8345	3.7556	2.5718	2.1557	3.2127	4.1362	3.5026
C5	3.2044	2.9135	4.1625	3.6389		1.0957	1.0966	1.0956	1.5461	2.1701	2.1723	2.5394	3.4934	3.7126	4.4072
H6	2.9221	2.3097	3.8854	3.3103	1.0957		1.7741	1.7774	2.1931	3.0871	2.5246	2.8135	3.9426	4.4071	4.6977
H7	4.1838	3.8904	5.1913	4.4498	1.0966	1.7741		1.7807	2.1877	2.5002	2.5128	3.4886	4.4067	4.4596	5.3872
H8	3.5929	3.2711	4.3687	4.2746	1.0956	1.7774	1.7807		2.1790	2.5182	3.0800	2.7832	3.3897	3.4835	4.2342
C9	2.5690	2.8450	3.5085	2.8345	1.5461	2.1931	2.1877	2.1790		1.0971	1.0999	1.5172	2.4949	2.7296	3.4971
H10	3.4841	3.8718	4.2967	3.7556	2.1701	3.0871	2.5002	2.5182	1.0971		1.7731	2.1473	2.6000	2.3798	3.6837
H11	2.7522	3.0775	3.7682	2.5718	2.1723	2.5246	2.5128	3.0800	1.0999	1.7731		2.1488	3.2536	3.5700	4.1718
C12	1.5129	2.1644	2.1651	2.1557	2.5394	2.8135	3.4886	2.7832	1.5172	2.1473	2.1488		1.3354	2.1177	2.1192
C13	2.4948	3.2164	2.6230	3.2127	3.4934	3.9426	4.4067	3.3897	2.4949	2.6000	3.2536	1.3354		1.0871	1.0869
H14	3.4949	4.1468	3.7089	4.1362	3.7126	4.4071	4.4596	3.4835	2.7296	2.3798	3.5700	2.1177	1.0871		1.8508
H15	2.7359	3.4960	2.4021	3.5026	4.4072	4.6977	5.3872	4.2342	3.4971	3.6837	4.1718	2.1192	1.0869	1.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	115.954	C1	C12	C13	122.179
H2	C1	H3	108.295	H2	C1	H4	107.408
H2	C1	C12	110.989	H3	C1	H4	108.557
H3	C1	C12	111.236	H4	C1	C12	110.235
C5	C9	H10	109.197	C5	C9	H11	109.203
C5	C9	C12	111.987	H6	C5	H7	108.049
H6	C5	H8	108.411	H6	C5	C9	111.086
H7	C5	H8	108.638	H7	C5	C9	110.601
H8	C5	C9	109.979	C9	C12	C13	121.866
H10	C9	H11	107.613	H10	C9	C12	109.393
H11	C9	C12	109.346	C12	C13	H14	121.559
C12	C13	H15	121.724	H14	C13	H15	116.717

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

using model chemistry: B3PW91/3-21G*

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	-0.653
2	H	0.223
3	H	0.219
4	H	0.220
5	C	-0.610
6	H	0.210
7	H	0.210
8	H	0.219
9	C	-0.476
10	H	0.220
11	H	0.217
12	C	0.032
13	C	-0.422
14	H	0.196
15	H	0.196

	x	y	z	Total
	-0.322	0.374	0.060	0.497
CHELPG
AIM
ESP

	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>	142.895
(<r²>)^1/2	11.954

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

using model chemistry: B3PW91/3-21G*

States and conformations

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