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	hartrees
Energy at 0K	-157.235086
Energy at 298.15K
HF Energy	-156.678486
Nuclear repulsion energy	125.957734

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.360	0.000
C2	1.481	0.121	0.000
H3	-0.176	1.459	0.000
H4	2.047	0.155	0.936
H5	2.047	0.155	-0.936
C6	-0.656	-0.209	-1.266
C7	-0.656	-0.209	1.266
H8	-0.530	-1.305	-1.304
H9	-1.736	0.014	-1.286
H10	-0.202	0.218	-2.176
H11	-0.530	-1.305	1.304
H12	-1.736	0.014	1.286
H13	-0.202	0.218	2.176

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5005	1.1134	2.2599	2.2599	1.5349	1.5349	2.1801	2.1879	2.1900	2.1801	2.1879	2.1900
C2	1.5005		2.1300	1.0940	1.0940	2.5057	2.5057	2.7889	3.4665	2.7526	2.7889	3.4665	2.7526
H3	1.1134	2.1300		2.7413	2.7413	2.1484	2.1484	3.0769	2.4853	2.5053	3.0769	2.4853	2.5053
H4	2.2599	1.0940	2.7413		1.8718	3.5050	2.7470	3.7134	4.3894	3.8397	2.9845	3.8016	2.5684
H5	2.2599	1.0940	2.7413	1.8718		2.7470	3.5050	2.9845	3.8016	2.5684	3.7134	4.3894	3.8397
C6	1.5349	2.5057	2.1484	3.5050	2.7470		2.5318	1.1040	1.1031	1.1033	2.7969	2.7802	3.4980
C7	1.5349	2.5057	2.1484	2.7470	3.5050	2.5318		2.7969	2.7802	3.4980	1.1040	1.1031	1.1033
H8	2.1801	2.7889	3.0769	3.7134	2.9845	1.1040	2.7969		1.7877	1.7854	2.6083	3.1472	3.8131
H9	2.1879	3.4665	2.4853	4.3894	3.8016	1.1031	2.7802	1.7877		1.7855	3.1472	2.5723	3.7925
H10	2.1900	2.7526	2.5053	3.8397	2.5684	1.1033	3.4980	1.7854	1.7855		3.8131	3.7925	4.3522
H11	2.1801	2.7889	3.0769	2.9845	3.7134	2.7969	1.1040	2.6083	3.1472	3.8131		1.7877	1.7854
H12	2.1879	3.4665	2.4853	3.8016	4.3894	2.7802	1.1031	3.1472	2.5723	3.7925	1.7877		1.7855
H13	2.1900	2.7526	2.5053	2.5684	3.8397	3.4980	1.1033	3.8131	3.7925	4.3522	1.7854	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.346	C1	C2	H5	120.346
C1	C6	H8	110.339	C1	C6	H9	111.012
C1	C6	H10	111.167	C1	C7	H11	110.339
C1	C7	H12	111.012	C1	C7	H13	111.167
C2	C1	H3	108.242	C2	C1	C6	111.273
C2	C1	C7	111.273	H3	C1	C6	107.363
H3	C1	C7	107.363	H4	C2	H5	117.623
C6	C1	C7	111.124	H8	C6	H9	108.182
H8	C6	H10	107.977	H9	C6	H10	108.047
H11	C7	H12	108.182	H11	C7	H13	107.977
H12	C7	H13	108.047

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

using model chemistry: MP2/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 CH2CH(CH3)2 (Isobutyl radical)

using model chemistry: MP2/cc-pVDZ

States and conformations

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