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	hartrees
Energy at 0K	-196.544569
Energy at 298.15K	-196.554812
HF Energy	-196.544569
Nuclear repulsion energy	176.408713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3095	18.03
2	A	3154	3015	9.46
3	A	3144	3005	19.36
4	A	3134	2996	43.07
5	A	3129	2992	32.27
6	A	3103	2966	19.41
7	A	3094	2958	11.86
8	A	3055	2921	28.29
9	A	3045	2911	26.53
10	A	3036	2903	25.68
11	A	1746	1670	24.05
12	A	1524	1457	6.39
13	A	1511	1444	8.53
14	A	1507	1440	5.50
15	A	1499	1433	10.24
16	A	1483	1418	7.70
17	A	1459	1394	0.25
18	A	1426	1363	6.99
19	A	1417	1355	3.56
20	A	1373	1313	0.85
21	A	1327	1268	1.04
22	A	1288	1231	1.08
23	A	1134	1084	0.55
24	A	1105	1057	5.02
25	A	1059	1012	0.68
26	A	1035	989	0.74
27	A	1014	969	0.88
28	A	953	911	1.97
29	A	928	887	43.88
30	A	822	786	1.84
31	A	787	752	1.16
32	A	717	685	0.47
33	A	545	521	7.79
34	A	446	426	1.68
35	A	412	394	0.82
36	A	266	254	0.29
37	A	226	216	0.47
38	A	177	169	0.24
39	A	90	86	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.958	1.334	0.029
H2	0.329	1.867	-0.686
H3	1.997	1.465	-0.270
H4	0.814	1.814	0.999
C5	-1.892	0.075	-0.397
H6	-1.852	1.157	-0.519
H7	-2.884	-0.181	-0.026
H8	-1.767	-0.380	-1.380
C9	-0.814	-0.424	0.567
H10	-0.921	-1.500	0.708
H11	-0.969	0.043	1.543
C12	0.586	-0.120	0.101
C13	1.437	-1.081	-0.235
H14	1.161	-2.127	-0.177
H15	2.440	-0.859	-0.576

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0918	1.0887	1.0924	3.1449	2.8688	4.1308	3.5146	2.5537	3.4681	2.7708	1.5024	2.4758	3.4730	2.7147
H2	1.0918		1.7663	1.7551	2.8681	2.2993	3.8667	3.1503	2.8505	3.8530	3.1594	2.1524	3.1816	4.1117	3.4500
H3	1.0887	1.7663		1.7699	4.1318	3.8696	5.1571	4.3367	3.4885	4.2737	3.7563	2.1541	2.6069	3.6889	2.3852
H4	1.0924	1.7551	1.7699		3.5067	3.1379	4.3252	4.1400	2.8010	3.7521	2.5712	2.1442	3.2076	4.1271	3.5026
C5	3.1449	2.8681	4.1318	3.5067		1.0903	1.0900	1.0903	1.5296	2.1548	2.1487	2.5343	3.5267	3.7702	4.4347
H6	2.8688	2.2993	3.8696	3.1379	1.0903		1.7603	1.7643	2.1814	3.0716	2.5047	2.8208	3.9881	4.4702	4.7424
H7	4.1308	3.8667	5.1571	4.3252	1.0900	1.7603		1.7668	2.1674	2.4766	2.4858	3.4727	4.4184	4.4917	5.3954
H8	3.5146	3.1503	4.3367	4.1400	1.0903	1.7643	1.7668		2.1682	2.5161	3.0598	2.7922	3.4736	3.6157	4.3100
C9	2.5537	2.8505	3.4885	2.8010	1.5296	2.1814	2.1674	2.1682		1.0905	1.0940	1.5060	2.4772	2.7115	3.4759
H10	3.4681	3.8530	4.2737	3.7521	2.1548	3.0716	2.4766	2.5161	1.0905		1.7558	2.1320	2.5735	2.3478	3.6548
H11	2.7708	3.1594	3.7563	2.5712	2.1487	2.5047	2.4858	3.0598	1.0940	1.7558		2.1275	3.1959	3.4943	4.1147
C12	1.5024	2.1524	2.1541	2.1442	2.5343	2.8208	3.4727	2.7922	1.5060	2.1320	2.1275		1.3268	2.1066	2.1079
C13	2.4758	3.1816	2.6069	3.2076	3.5267	3.9881	4.4184	3.4736	2.4772	2.5735	3.1959	1.3268		1.0832	1.0830
H14	3.4730	4.1117	3.6889	4.1271	3.7702	4.4702	4.4917	3.6157	2.7115	2.3478	3.4943	2.1066	1.0832		1.8446
H15	2.7147	3.4500	2.3852	3.5026	4.4347	4.7424	5.3954	4.3100	3.4759	3.6548	4.1147	2.1079	1.0830	1.8446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.175	C1	C12	C13	121.987
H2	C1	H3	108.202	H2	C1	H4	106.931
H2	C1	C12	111.147	H3	C1	H4	108.473
H3	C1	C12	111.478	H4	C1	C12	110.450
C5	C9	H10	109.509	C5	C9	H11	108.829
C5	C9	C12	113.194	H6	C5	H7	107.677
H6	C5	H8	108.015	H6	C5	C9	111.639
H7	C5	H8	108.260	H7	C5	C9	110.536
H8	C5	C9	110.586	C9	C12	C13	121.837
H10	C9	H11	106.980	H10	C9	C12	109.344
H11	C9	C12	108.792	C12	C13	H14	121.548
C12	C13	H15	121.695	H14	C13	H15	116.756

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

using model chemistry: wB97X-D/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	-0.262
2	H	0.093
3	H	0.094
4	H	0.090
5	C	-0.279
6	H	0.088
7	H	0.094
8	H	0.093
9	C	-0.144
10	H	0.093
11	H	0.091
12	C	0.067
13	C	-0.341
14	H	0.112
15	H	0.111

	x	y	z	Total
	-0.383	0.384	0.132	0.559
CHELPG
AIM
ESP

	x	y	z
x	10.108	-0.846	-0.540
y	-0.846	9.611	0.304
z	-0.540	0.304	7.247

<r²>	142.294
(<r²>)^1/2	11.929

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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