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	hartrees
Energy at 0K	-195.216623
Energy at 298.15K	-195.227088
HF Energy	-195.216623
Nuclear repulsion energy	176.519457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3349	3030	22.91
2	A	3275	2963	11.64
3	A	3238	2929	29.57
4	A	3227	2919	66.22
5	A	3216	2909	57.30
6	A	3200	2895	22.01
7	A	3194	2889	15.29
8	A	3160	2859	35.75
9	A	3154	2853	33.60
10	A	3143	2843	27.12
11	A	1842	1666	32.15
12	A	1627	1472	3.96
13	A	1618	1463	5.26
14	A	1614	1460	11.31
15	A	1606	1453	7.61
16	A	1595	1443	3.40
17	A	1569	1419	0.32
18	A	1536	1390	2.81
19	A	1531	1385	2.43
20	A	1477	1336	4.14
21	A	1416	1281	1.35
22	A	1374	1243	1.49
23	A	1214	1098	0.88
24	A	1190	1076	3.58
25	A	1138	1030	0.76
26	A	1087	984	0.14
27	A	1084	980	0.75
28	A	1043	943	53.60
29	A	1001	906	1.00
30	A	857	775	1.19
31	A	820	741	0.66
32	A	780	705	0.16
33	A	583	527	8.52
34	A	467	422	1.91
35	A	424	384	0.97
36	A	280	254	0.42
37	A	240	217	0.46
38	A	196	178	0.13
39	A	70	63	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.003	1.321	0.025
H2	0.403	1.871	-0.693
H3	2.041	1.419	-0.261
H4	0.867	1.802	0.989
C5	-1.911	0.094	-0.390
H6	-1.885	1.170	-0.505
H7	-2.891	-0.171	-0.011
H8	-1.799	-0.351	-1.372
C9	-0.821	-0.406	0.562
H10	-0.938	-1.473	0.707
H11	-0.964	0.059	1.535
C12	0.586	-0.125	0.092
C13	1.415	-1.099	-0.231
H14	1.119	-2.131	-0.175
H15	2.417	-0.901	-0.562

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0842	1.0812	1.0858	3.1885	2.9398	4.1700	3.5490	2.5688	3.4699	2.7826	1.5062	2.4688	3.4600	2.6994
H2	1.0842		1.7525	1.7452	2.9338	2.4010	3.9356	3.2016	2.8740	3.8653	3.1806	2.1522	3.1716	4.0983	3.4292
H3	1.0812	1.7525		1.7569	4.1698	3.9414	5.1878	4.3715	3.4927	4.2631	3.7557	2.1500	2.5951	3.6685	2.3699
H4	1.0858	1.7452	1.7569		3.5404	3.1942	4.3605	4.1611	2.8121	3.7504	2.5868	2.1438	3.1949	4.1095	3.4812
C5	3.1885	2.9338	4.1698	3.5404		1.0830	1.0837	1.0838	1.5308	2.1450	2.1447	2.5525	3.5365	3.7651	4.4445
H6	2.9398	2.4010	3.9414	3.1942	1.0830		1.7476	1.7531	2.1807	3.0576	2.4984	2.8534	4.0144	4.4759	4.7758
H7	4.1700	3.9356	5.1878	4.3605	1.0837	1.7476		1.7541	2.1608	2.4541	2.4806	3.4793	4.4103	4.4668	5.3869
H8	3.5490	3.2016	4.3715	4.1611	1.0838	1.7531	1.7541		2.1679	2.5136	3.0514	2.8078	3.4912	3.6216	4.3287
C9	2.5688	2.8740	3.4927	2.8121	1.5308	2.1807	2.1608	2.1679		1.0828	1.0871	1.5104	2.4716	2.6989	3.4638
H10	3.4699	3.8653	4.2631	3.7504	2.1450	3.0576	2.4541	2.5136	1.0828		1.7412	2.1261	2.5605	2.3334	3.6329
H11	2.7826	3.1806	3.7557	2.5868	2.1447	2.4984	2.4806	3.0514	1.0871	1.7412		2.1260	3.1810	3.4726	4.0932
C12	1.5062	2.1522	2.1500	2.1438	2.5525	2.8534	3.4793	2.8078	1.5104	2.1261	2.1260		1.3193	2.0929	2.0938
C13	2.4688	3.1716	2.5951	3.1949	3.5365	4.0144	4.4103	3.4912	2.4716	2.5605	3.1810	1.3193		1.0744	1.0744
H14	3.4600	4.0983	3.6685	4.1095	3.7651	4.4759	4.4668	3.6216	2.6989	2.3334	3.4726	2.0929	1.0744		1.8294
H15	2.6994	3.4292	2.3699	3.4812	4.4445	4.7758	5.3869	4.3287	3.4638	3.6329	4.0932	2.0938	1.0744	1.8294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.760	C1	C12	C13	121.659
H2	C1	H3	108.058	H2	C1	H4	107.075
H2	C1	C12	111.326	H3	C1	H4	108.340
H3	C1	C12	111.331	H4	C1	C12	110.551
C5	C9	H10	109.105	C5	C9	H11	108.830
C5	C9	C12	114.132	H6	C5	H7	107.521
H6	C5	H8	108.012	H6	C5	C9	111.948
H7	C5	H8	108.049	H7	C5	C9	110.298
H8	C5	C9	110.862	C9	C12	C13	121.578
H10	C9	H11	106.725	H10	C9	C12	109.028
H11	C9	C12	108.763	C12	C13	H14	121.596
C12	C13	H15	121.689	H14	C13	H15	116.715

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.522
2	H	0.167
3	H	0.437
4	H	0.338
5	C	-1.333
6	H	0.322
7	H	0.210
8	H	0.386
9	C	-0.575
10	H	0.380
11	H	0.108
12	C	1.803
13	C	-2.105
14	H	0.682
15	H	0.701

	x	y	z	Total
	-0.396	0.392	0.141	0.575
CHELPG
AIM
ESP

	x	y	z
x	10.064	-0.946	-0.370
y	-0.946	9.596	0.300
z	-0.370	0.300	7.658

<r²>	142.995
(<r²>)^1/2	11.958

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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