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	hartrees
Energy at 0K	-157.248708
Energy at 298.15K
HF Energy	-156.683577
Nuclear repulsion energy	126.748712

Atom	x (Å)	y (Å)	z (Å)
C1	-0.271	0.236	0.000
C2	0.874	1.195	0.000
H3	-1.208	0.815	0.000
H4	1.228	1.628	0.925
H5	1.228	1.628	-0.925
C6	-0.271	-0.630	-1.262
C7	-0.271	-0.630	1.262
H8	0.628	-1.247	-1.297
H9	-1.139	-1.290	-1.279
H10	-0.295	-0.013	-2.161
H11	0.628	-1.247	1.297
H12	-1.139	-1.290	1.279
H13	-0.295	-0.013	2.161

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4933	1.1011	2.2448	2.2448	1.5299	1.5299	2.1654	2.1717	2.1755	2.1654	2.1717	2.1755
C2	1.4933		2.1157	1.0807	1.0807	2.4960	2.4960	2.7755	3.4438	2.7375	2.7755	3.4438	2.7375
H3	1.1011	2.1157		2.7290	2.7290	2.1343	2.1343	3.0501	2.4636	2.4878	3.0501	2.4636	2.4878
H4	2.2448	1.0807	2.7290		1.8494	3.4816	2.7304	3.6821	4.3554	3.8121	2.9598	3.7735	2.5571
H5	2.2448	1.0807	2.7290	1.8494		2.7304	3.4816	2.9598	3.7735	2.5571	3.6821	4.3554	3.8121
C6	1.5299	2.4960	2.1343	3.4816	2.7304		2.5234	1.0914	1.0908	1.0908	2.7815	2.7648	3.4780
C7	1.5299	2.4960	2.1343	2.7304	3.4816	2.5234		2.7815	2.7648	3.4780	1.0914	1.0908	1.0908
H8	2.1654	2.7755	3.0501	3.6821	2.9598	1.0914	2.7815		1.7682	1.7667	2.5941	3.1243	3.7859
H9	2.1717	3.4438	2.4636	4.3554	3.7735	1.0908	2.7648	1.7682		1.7669	3.1243	2.5577	3.7652
H10	2.1755	2.7375	2.4878	3.8121	2.5571	1.0908	3.4780	1.7667	1.7669		3.7859	3.7652	4.3223
H11	2.1654	2.7755	3.0501	2.9598	3.6821	2.7815	1.0914	2.5941	3.1243	3.7859		1.7682	1.7667
H12	2.1717	3.4438	2.4636	3.7735	4.3554	2.7648	1.0908	3.1243	2.5577	3.7652	1.7682		1.7669
H13	2.1755	2.7375	2.4878	2.5571	3.8121	3.4780	1.0908	3.7859	3.7652	4.3223	1.7667	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.562	C1	C2	H5	120.562
C1	C6	H8	110.277	C1	C6	H9	110.813
C1	C6	H10	111.120	C1	C7	H11	110.277
C1	C7	H12	110.813	C1	C7	H13	111.120
C2	C1	H3	108.321	C2	C1	C6	111.299
C2	C1	C7	111.299	H3	C1	C6	107.300
H3	C1	C7	107.300	H4	C2	H5	117.659
C6	C1	C7	111.113	H8	C6	H9	108.245
H8	C6	H10	108.114	H9	C6	H10	108.171
H11	C7	H12	108.245	H11	C7	H13	108.114
H12	C7	H13	108.171

All results from a given calculation for CH₂CH(CH₃)₂ (Isobutyl 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 CH2CH(CH3)2 (Isobutyl radical)

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

States and conformations

All results from a given calculation for CH₂CH(CH₃)₂ (Isobutyl radical)