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	hartrees
Energy at 0K	-195.928448
Energy at 298.15K
HF Energy	-195.161439
Nuclear repulsion energy	174.471209

Atom	x (Å)	y (Å)	z (Å)
C1	-1.508	0.488	0.000
H2	-1.959	-0.500	0.000
H3	-1.871	1.027	0.877
H4	-1.871	1.027	-0.877
C5	0.274	-2.095	0.000
H6	0.653	-2.621	-0.877
H7	0.653	-2.621	0.877
H8	-0.809	-2.184	0.000
C9	0.742	-0.667	0.000
H10	1.822	-0.551	0.000
C11	0.000	0.449	0.000
C12	0.650	1.811	0.000
H13	1.736	1.736	0.000
H14	0.346	2.385	0.877
H15	0.346	2.385	-0.877

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	C12	H13	H14	H15
C1		1.0862	1.0915	1.0915	3.1375	3.8862	3.8862	2.7614	2.5290	3.4879	1.5081	2.5312	3.4752	2.7940	2.7940
H2	1.0862		1.7629	1.7629	2.7436	3.4768	3.4768	2.0385	2.7063	3.7811	2.1767	3.4854	4.3185	3.7958	3.7958
H3	1.0915	1.7629		1.7539	3.8876	4.7699	4.4356	3.4933	3.2353	4.1105	2.1455	2.7823	3.7791	2.6004	3.1368
H4	1.0915	1.7629	1.7539		3.8876	4.4356	4.7699	3.4933	3.2353	4.1105	2.1455	2.7823	3.7791	3.1368	2.6004
C5	3.1375	2.7436	3.8876	3.8876		1.0909	1.0909	1.0868	1.5030	2.1865	2.5588	3.9241	4.1002	4.5659	4.5659
H6	3.8862	3.4768	4.7699	4.4356	1.0909		1.7545	1.7605	2.1437	2.5338	3.2590	4.5178	4.5740	5.3135	5.0155
H7	3.8862	3.4768	4.4356	4.7699	1.0909	1.7545		1.7605	2.1437	2.5338	3.2590	4.5178	4.5740	5.0155	5.3135
H8	2.7614	2.0385	3.4933	3.4933	1.0868	1.7605	1.7605		2.1701	3.0968	2.7546	4.2531	4.6734	4.7939	4.7939
C9	2.5290	2.7063	3.2353	3.2353	1.5030	2.1437	2.1437	2.1701		1.0858	1.3404	2.4796	2.5998	3.2003	3.2003
H10	3.4879	3.7811	4.1105	4.1105	2.1865	2.5338	2.5338	3.0968	1.0858		2.0785	2.6367	2.2883	3.4014	3.4014
C11	1.5081	2.1767	2.1455	2.1455	2.5588	3.2590	3.2590	2.7546	1.3404	2.0785		1.5091	2.1606	2.1536	2.1536
C12	2.5312	3.4854	2.7823	2.7823	3.9241	4.5178	4.5178	4.2531	2.4796	2.6367	1.5091		1.0882	1.0917	1.0917
H13	3.4752	4.3185	3.7791	3.7791	4.1002	4.5740	4.5740	4.6734	2.5998	2.2883	2.1606	1.0882		1.7671	1.7671
H14	2.7940	3.7958	2.6004	3.1368	4.5659	5.3135	5.0155	4.7939	3.2003	3.4014	2.1536	1.0917	1.7671		1.7546
H15	2.7940	3.7958	3.1368	2.6004	4.5659	5.0155	5.3135	4.7939	3.2003	3.4014	2.1536	1.0917	1.7671	1.7546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C11	C9	125.105	C1	C11	C12	114.052
H2	C1	H3	108.102	H2	C1	H4	108.102
H2	C1	C11	113.070	H3	C1	H4	106.923
H3	C1	C11	110.212	H4	C1	C11	110.212
C5	C9	H10	114.294	C5	C9	C11	128.197
H6	C5	H7	107.057	H6	C5	H8	107.889
H6	C5	C9	110.463	H7	C5	H8	107.889
H7	C5	C9	110.463	H8	C5	C9	112.860
C9	C11	C12	120.843	H10	C9	C11	117.510
C11	C12	H13	111.554	C11	C12	H14	110.774
C11	C12	H15	110.774	H13	C12	H14	108.314
H13	C12	H15	108.314	H14	C12	H15	106.950

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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