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	hartrees
Energy at 0K	-195.936186
Energy at 298.15K
HF Energy	-195.159504
Nuclear repulsion energy	172.960218

Atom	x (Å)	y (Å)	z (Å)
C1	-1.515	0.497	0.000
H2	-1.981	-0.501	0.000
H3	-1.882	1.046	0.889
H4	-1.882	1.046	-0.889
C5	0.268	-2.110	0.000
H6	0.652	-2.646	-0.889
H7	0.652	-2.646	0.889
H8	-0.830	-2.199	0.000
C9	0.745	-0.675	0.000
H10	1.839	-0.552	0.000
C11	0.000	0.454	0.000
C12	0.662	1.819	0.000
H13	1.762	1.739	0.000
H14	0.355	2.404	0.889
H15	0.355	2.404	-0.889

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.1010	1.1073	1.1073	3.1585	3.9201	3.9201	2.7814	2.5466	3.5147	1.5159	2.5467	3.5053	2.8152	2.8152
H2	1.1010		1.7869	1.7869	2.7651	3.5104	3.5104	2.0509	2.7316	3.8203	2.1986	3.5158	4.3622	3.8319	3.8319
H3	1.1073	1.7869		1.7774	3.9211	4.8184	4.4786	3.5251	3.2648	4.1465	2.1643	2.8032	3.8150	2.6171	3.1639
H4	1.1073	1.7869	1.7774		3.9211	4.4786	4.8184	3.5251	3.2648	4.1465	2.1643	2.8032	3.8150	3.1639	2.6171
C5	3.1585	2.7651	3.9211	3.9211		1.1068	1.1068	1.1019	1.5116	2.2126	2.5773	3.9480	4.1289	4.6009	4.6009
H6	3.9201	3.5104	4.8184	4.4786	1.1068		1.7776	1.7850	2.1642	2.5668	3.2902	4.5526	4.6107	5.3621	5.0587
H7	3.9201	3.5104	4.4786	4.8184	1.1068	1.7776		1.7850	2.1642	2.5668	3.2902	4.5526	4.6107	5.0587	5.3621
H8	2.7814	2.0509	3.5251	3.5251	1.1019	1.7850	1.7850		2.1914	3.1365	2.7791	4.2852	4.7147	4.8349	4.8349
C9	2.5466	2.7316	3.2648	3.2648	1.5116	2.1642	2.1642	2.1914		1.1009	1.3529	2.4954	2.6202	3.2284	3.2284
H10	3.5147	3.8203	4.1465	4.1465	2.2126	2.5668	2.5668	3.1365	1.1009		2.0961	2.6467	2.2923	3.4244	3.4244
C11	1.5159	2.1986	2.1643	2.1643	2.5773	3.2902	3.2902	2.7791	1.3529	2.0961		1.5169	2.1815	2.1724	2.1724
C12	2.5467	3.5158	2.8032	2.8032	3.9480	4.5526	4.5526	4.2852	2.4954	2.6467	1.5169		1.1036	1.1076	1.1076
H13	3.5053	4.3622	3.8150	3.8150	4.1289	4.6107	4.6107	4.7147	2.6202	2.2923	2.1815	1.1036		1.7921	1.7921
H14	2.8152	3.8319	2.6171	3.1639	4.6009	5.3621	5.0587	4.8349	3.2284	3.4244	2.1724	1.1076	1.7921		1.7785
H15	2.8152	3.8319	3.1639	2.6171	4.6009	5.0587	5.3621	4.8349	3.2284	3.4244	2.1724	1.1076	1.7921	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.073	C1	C11	C12	114.221
H2	C1	H3	108.029	H2	C1	H4	108.029
H2	C1	C11	113.361	H3	C1	H4	106.751
H3	C1	C11	110.211	H4	C1	C11	110.211
C5	C9	H10	114.852	C5	C9	C11	128.167
H6	C5	H7	106.833	H6	C5	H8	107.834
H6	C5	C9	110.533	H7	C5	H8	107.834
H7	C5	C9	110.533	H8	C5	C9	113.027
C9	C11	C12	120.706	H10	C9	C11	116.981
C11	C12	H13	111.744	C11	C12	H14	110.772
C11	C12	H15	110.772	H13	C12	H14	108.283
H13	C12	H15	108.283	H14	C12	H15	106.810

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

using model chemistry: QCISD/cc-pVDZ

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 (2-Butene, 2-methyl-)

using model chemistry: QCISD/cc-pVDZ

States and conformations

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