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	hartrees
Energy at 0K	-195.847190
Energy at 298.15K	-195.857348
HF Energy	-195.142405
Nuclear repulsion energy	175.428589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	3085	19.47
2	A	3180	3010	9.44
3	A	3164	2994	27.56
4	A	3160	2991	24.32
5	A	3156	2987	36.01
6	A	3131	2963	24.39
7	A	3111	2944	14.61
8	A	3078	2914	22.52
9	A	3067	2903	19.33
10	A	3057	2894	26.17
11	A	1769	1675	5.93
12	A	1561	1478	2.41
13	A	1556	1473	6.72
14	A	1550	1467	8.96
15	A	1543	1461	7.09
16	A	1531	1449	4.50
17	A	1495	1415	1.29
18	A	1468	1389	4.18
19	A	1463	1385	4.00
20	A	1407	1332	0.92
21	A	1349	1277	1.33
22	A	1314	1244	1.23
23	A	1152	1090	0.48
24	A	1129	1069	5.19
25	A	1085	1027	0.52
26	A	1058	1001	1.31
27	A	1028	973	0.79
28	A	972	920	0.73
29	A	919	870	42.12
30	A	818	774	1.50
31	A	796	754	1.07
32	A	732	693	0.13
33	A	540	511	5.04
34	A	438	415	1.44
35	A	403	381	0.60
36	A	271	257	0.14
37	A	226	214	0.35
38	A	176	167	0.22
39	A	62	58	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.972	1.340	0.030
C2	0.586	-0.118	0.099
C3	1.443	-1.091	-0.234
C4	-0.821	-0.427	0.563
C5	-1.907	0.081	-0.394
H6	0.374	1.880	-0.715
H7	2.028	1.458	-0.237
H8	0.804	1.833	0.997
H9	-1.892	1.174	-0.480
H10	-2.903	-0.211	-0.041
H11	-1.763	-0.339	-1.397
H12	-0.926	-1.513	0.689
H13	-0.979	0.020	1.557
H14	1.165	-2.142	-0.182
H15	2.455	-0.875	-0.570

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5100	2.4900	2.5739	3.1708	1.0976	1.0953	1.0988	2.9141	4.1748	3.5124	3.4899	2.8072	3.4935	2.7320
C2	1.5100		1.3388	1.5133	2.5488	2.1683	2.1623	2.1590	2.8536	3.4927	2.7936	2.1401	2.1426	2.1236	2.1252
C3	2.4900	1.3388		2.4902	3.5524	3.1940	2.6146	3.2364	4.0386	4.4382	3.4921	2.5776	3.2103	1.0884	1.0885
C4	2.5739	1.5133	2.4902		1.5346	2.8962	3.5087	2.8180	2.1906	2.1787	2.1766	1.0978	1.1010	2.7270	3.4956
C5	3.1708	2.5488	3.5524	1.5346		2.9225	4.1718	3.5151	1.0959	1.0965	1.0966	2.1623	2.1613	3.7975	4.4693
H6	1.0976	2.1683	3.1940	2.8962	2.9225		1.7735	1.7660	2.3851	3.9452	3.1555	3.8956	3.2326	4.1337	3.4562
H7	1.0953	2.1623	2.6146	3.5087	4.1718	1.7735		1.7779	3.9381	5.2095	4.3530	4.2907	3.7846	3.7017	2.3942
H8	1.0988	2.1590	3.2364	2.8180	3.5151	1.7660	1.7779		3.1442	4.3590	4.1281	3.7800	2.6038	4.1618	3.5376
H9	2.9141	2.8536	4.0386	2.1906	1.0959	2.3851	3.9381	3.1442		1.7696	1.7739	3.0848	2.5121	4.5194	4.8069
H10	4.1748	3.4927	4.4382	2.1787	1.0965	3.9452	5.2095	4.3590	1.7696		1.7759	2.4768	2.5117	4.5048	5.4252
H11	3.5124	2.7936	3.4921	2.1766	1.0966	3.1555	4.3530	4.1281	1.7739	1.7759		2.5353	3.0769	3.6466	4.3322
H12	3.4899	2.1401	2.5776	1.0978	2.1623	3.8956	4.2907	3.7800	3.0848	2.4768	2.5353		1.7626	2.3507	3.6646
H13	2.8072	2.1426	3.2103	1.1010	2.1613	3.2326	3.7846	2.6038	2.5121	2.5117	3.0769	1.7626		3.5058	4.1373
H14	3.4935	2.1236	1.0884	2.7270	3.7975	4.1337	3.7017	4.1618	4.5194	4.5048	3.6466	2.3507	3.5058		1.8500
H15	2.7320	2.1252	1.0885	3.4956	4.4693	3.4562	2.3942	3.5376	4.8069	5.4252	4.3322	3.6646	4.1373	1.8500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C12	C9	52.177	C1	C12	C13	52.989
H2	C1	H3	27.208	H2	C1	H4	31.677
H2	C1	C12	20.386	H3	C1	H4	58.884
H3	C1	C12	47.526	H4	C1	C12	11.586
C5	C9	H10	36.193	C5	C9	H11	36.006
C5	C9	C12	26.687	H6	C5	H7	20.768
H6	C5	H8	30.082	H6	C5	C9	50.747
H7	C5	H8	24.916	H7	C5	C9	70.207
H8	C5	C9	61.543	C9	C12	C13	54.519
H10	C9	H11	60.154	H10	C9	C12	53.377
H11	C9	C12	55.272	C12	C13	H14	36.989
C12	C13	H15	62.233	H14	C13	H15	26.393

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

using model chemistry: CCD/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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All results from a given calculation for C5H10 (1-Butene, 2-methyl-)

using model chemistry: CCD/6-31G*

States and conformations

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