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	hartrees
Energy at 0K	-195.087442
Energy at 298.15K	-195.097908
Nuclear repulsion energy	175.521445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3420	3077	36.31
2	A	3324	2992	15.20
3	A	3296	2966	49.20
4	A	3289	2960	72.61
5	A	3278	2950	87.23
6	A	3260	2934	41.20
7	A	3254	2928	17.54
8	A	3203	2882	45.68
9	A	3193	2873	56.95
10	A	3190	2871	42.65
11	A	1848	1663	33.50
12	A	1657	1492	4.46
13	A	1651	1486	11.26
14	A	1649	1484	14.43
15	A	1642	1478	14.36
16	A	1632	1469	7.04
17	A	1596	1436	0.91
18	A	1570	1413	9.76
19	A	1564	1407	5.89
20	A	1494	1345	1.32
21	A	1443	1298	2.37
22	A	1394	1254	0.81
23	A	1237	1113	0.09
24	A	1211	1090	6.03
25	A	1162	1046	4.94
26	A	1110	999	1.61
27	A	1110	999	0.90
28	A	1091	981	82.70
29	A	1019	917	0.67
30	A	878	790	2.31
31	A	827	744	1.09
32	A	785	706	0.14
33	A	590	531	12.02
34	A	468	421	1.18
35	A	428	385	1.30
36	A	283	255	0.65
37	A	237	213	0.61
38	A	181	163	0.30
39	A	68	62	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.982	1.341	0.028
H2	0.389	1.875	-0.707
H3	2.025	1.459	-0.236
H4	0.819	1.825	0.987
C5	-1.919	0.083	-0.394
H6	-1.906	1.163	-0.487
H7	-2.900	-0.203	-0.029
H8	-1.790	-0.342	-1.383
C9	-0.822	-0.424	0.566
H10	-0.934	-1.494	0.697
H11	-0.973	0.030	1.543
C12	0.590	-0.121	0.094
C13	1.445	-1.095	-0.235
H14	1.168	-2.132	-0.182
H15	2.445	-0.883	-0.566

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	H11	C12	C13	H14	H15
C1		1.0853	1.0824	1.0865	3.1904	2.9389	4.1784	3.5370	2.5804	3.4864	2.7992	1.5152	2.4931	3.4842	2.7278
H2	1.0853		1.7526	1.7488	2.9396	2.4135	3.9498	3.1819	2.8940	3.8825	3.2132	2.1608	3.1872	4.1159	3.4433
H3	1.0824	1.7526		1.7568	4.1804	3.9502	5.2022	4.3722	3.5062	4.2831	3.7677	2.1597	2.6184	3.6919	2.4020
H4	1.0865	1.7488	1.7568		3.5265	3.1674	4.3558	4.1375	2.8148	3.7640	2.5960	2.1530	3.2260	4.1403	3.5201
C5	3.1904	2.9396	4.1804	3.5265		1.0840	1.0849	1.0845	1.5435	2.1551	2.1560	2.5645	3.5676	3.8051	4.4733
H6	2.9389	2.4135	3.9502	3.1674	1.0840		1.7503	1.7555	2.1910	3.0661	2.5043	2.8664	4.0480	4.5160	4.8087
H7	4.1784	3.9498	5.2022	4.3558	1.0849	1.7503		1.7564	2.1730	2.4610	2.4977	3.4934	4.4401	4.5044	5.4150
H8	3.5370	3.1819	4.3722	4.1375	1.0845	1.7555	1.7564		2.1784	2.5270	3.0608	2.8104	3.5144	3.6602	4.3473
C9	2.5804	2.8940	3.5062	2.8148	1.5435	2.1910	2.1730	2.1784		1.0837	1.0874	1.5194	2.4960	2.7269	3.4881
H10	3.4864	3.8825	4.2831	3.7640	2.1551	3.0661	2.4610	2.5270	1.0837		1.7433	2.1379	2.5859	2.3659	3.6589
H11	2.7992	3.2132	3.7677	2.5960	2.1560	2.5043	2.4977	3.0608	1.0874	1.7433		2.1366	3.2049	3.4973	4.1190
C12	1.5152	2.1608	2.1597	2.1530	2.5645	2.8664	3.4934	2.8104	1.5194	2.1379	2.1366		1.3365	2.1102	2.1113
C13	2.4931	3.1872	2.6184	3.2260	3.5676	4.0480	4.4401	3.5144	2.4960	2.5859	3.2049	1.3365		1.0749	1.0748
H14	3.4842	4.1159	3.6919	4.1403	3.8051	4.5160	4.5044	3.6602	2.7269	2.3659	3.4973	2.1102	1.0749		1.8272
H15	2.7278	3.4433	2.4020	3.5201	4.4733	4.8087	5.4150	4.3473	3.4881	3.6589	4.1190	2.1113	1.0748	1.8272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	116.497	C1	C12	C13	121.784
H2	C1	H3	107.900	H2	C1	H4	107.267
H2	C1	C12	111.312	H3	C1	H4	108.189
H3	C1	C12	111.396	H4	C1	C12	110.613
C5	C9	H10	108.975	C5	C9	H11	108.835
C5	C9	C12	113.708	H6	C5	H7	107.606
H6	C5	H8	108.098	H6	C5	C9	111.805
H7	C5	H8	108.119	H7	C5	C9	110.312
H8	C5	C9	110.763	C9	C12	C13	121.717
H10	C9	H11	106.831	H10	C9	C12	109.292
H11	C9	C12	108.973	C12	C13	H14	121.727
C12	C13	H15	121.856	H14	C13	H15	116.417

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

using model chemistry: HF/LANL2DZ

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	-0.654
2	H	0.184
3	H	0.190
4	H	0.177
5	C	-0.553
6	H	0.170
7	H	0.179
8	H	0.181
9	C	-0.383
10	H	0.178
11	H	0.159
12	C	0.436
13	C	-0.641
14	H	0.188
15	H	0.189

	x	y	z	Total
	-0.470	0.439	0.123	0.655
CHELPG
AIM
ESP

	x	y	z
x	8.529	-1.259	-0.673
y	-1.259	8.311	0.445
z	-0.673	0.445	5.847

<r²>	144.421
(<r²>)^1/2	12.018

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

using model chemistry: HF/LANL2DZ

States and conformations

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