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	hartrees
Energy at 0K	-157.249875
Energy at 298.15K
HF Energy	-156.686918
Nuclear repulsion energy	122.333827

Atom	x (Å)	y (Å)	z (Å)
C1	1.976	-0.049	-0.075
H2	2.056	-0.801	-0.863
H3	2.677	0.755	-0.298
H4	2.311	-0.528	0.854
C5	0.576	0.455	0.041
H6	0.418	1.460	0.414
C7	-0.568	-0.501	0.109
H8	-0.563	-1.018	1.081
H9	-0.424	-1.287	-0.640
C10	-1.928	0.164	-0.094
H11	-2.095	0.935	0.659
H12	-1.983	0.635	-1.076
H13	-2.737	-0.562	-0.018

	C1	H2	H3	H4	C5	H6	C7	H8	H9	C10	H11	H12	H13
C1		1.0920	1.0894	1.0977	1.4918	2.2233	2.5903	2.9530	2.7588	3.9093	4.2525	4.1399	4.7413
H2	1.0920		1.7675	1.7569	2.1408	3.0701	2.8145	3.2686	2.5373	4.1705	4.7505	4.2917	4.8732
H3	1.0894	1.7675		1.7622	2.1486	2.4712	3.5032	3.9419	3.7283	4.6466	4.8706	4.7256	5.5788
H4	1.0977	1.7569	1.7622		2.1532	2.7805	2.9742	2.9244	3.2076	4.3984	4.6475	4.8491	5.1234
C5	1.4918	2.1408	2.1486	2.1532		1.0838	1.4928	2.1327	2.1208	2.5245	2.7843	2.7980	3.4666
H6	2.2233	3.0701	2.4712	2.7805	1.0838		2.2162	2.7473	3.0601	2.7273	2.5792	2.9434	3.7721
C7	2.5903	2.8145	3.5032	2.9742	1.4928	2.2162		1.1005	1.0948	1.5273	2.1678	2.1668	2.1738
H8	2.9530	3.2686	3.9419	2.9244	2.1327	2.7473	1.1005		1.7466	2.1542	2.5186	3.0655	2.4787
H9	2.7588	2.5373	3.7283	3.2076	2.1208	3.0601	1.0948	1.7466		2.1598	3.0690	2.5123	2.5026
C10	3.9093	4.1705	4.6466	4.3984	2.5245	2.7273	1.5273	2.1542	2.1598		1.0907	1.0899	1.0901
H11	4.2525	4.7505	4.8706	4.6475	2.7843	2.5792	2.1678	2.5186	3.0690	1.0907		1.7642	1.7639
H12	4.1399	4.2917	4.7256	4.8491	2.7980	2.9434	2.1668	3.0655	2.5123	1.0899	1.7642		1.7658
H13	4.7413	4.8732	5.5788	5.1234	3.4666	3.7721	2.1738	2.4787	2.5026	1.0901	1.7639	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	118.500	C1	C5	C7	120.432
H2	C1	H3	108.239	H2	C1	H4	106.707
H2	C1	C5	110.954	H3	C1	H4	107.363
H3	C1	C5	111.745	H4	C1	C5	111.605
C5	C7	H8	109.724	C5	C7	H9	109.120
C5	C7	C10	113.412	H6	C5	C7	117.781
C7	C10	H11	110.689	C7	C10	H12	110.658
C7	C10	H13	111.207	H8	C7	H9	105.423
H8	C7	C10	109.045	H9	C7	C10	109.810
H11	C10	H12	108.005	H11	C10	H13	107.967
H12	C10	H13	108.197

All results from a given calculation for CH₃CHCH₂CH₃ (2-Butyl radical)

using model chemistry: MP2/6-31+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 CH3CHCH2CH3 (2-Butyl radical)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for CH₃CHCH₂CH₃ (2-Butyl radical)