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	hartrees
Energy at 0K	-157.290805
Energy at 298.15K
HF Energy	-156.681061
Nuclear repulsion energy	126.650586

Atom	x (Å)	y (Å)	z (Å)
C1	-0.280	0.243	0.000
C2	0.875	1.205	0.000
H3	-1.212	0.819	0.000
H4	1.333	1.525	0.925
H5	1.333	1.525	-0.925
C6	-0.280	-0.624	-1.264
C7	-0.280	-0.624	1.264
H8	0.623	-1.232	-1.299
H9	-1.142	-1.291	-1.277
H10	-0.312	-0.012	-2.166
H11	0.623	-1.232	1.299
H12	-1.142	-1.291	1.277
H13	-0.312	-0.012	2.166

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5030	1.0961	2.2583	2.2583	1.5333	1.5333	2.1631	2.1740	2.1809	2.1631	2.1740	2.1809
C2	1.5030		2.1227	1.0804	1.0804	2.5057	2.5057	2.7732	3.4536	2.7534	2.7732	3.4536	2.7534
H3	1.0961	2.1227		2.7988	2.7988	2.1336	2.1336	3.0439	2.4673	2.4883	3.0439	2.4673	2.4883
H4	2.2583	1.0804	2.7988		1.8493	3.4659	2.7086	3.6124	4.3475	3.8236	2.8716	3.7654	2.5710
H5	2.2583	1.0804	2.7988	1.8493		2.7086	3.4659	2.8716	3.7654	2.5710	3.6124	4.3475	3.8236
C6	1.5333	2.5057	2.1336	3.4659	2.7086		2.5287	1.0893	1.0897	1.0901	2.7847	2.7650	3.4844
C7	1.5333	2.5057	2.1336	2.7086	3.4659	2.5287		2.7847	2.7650	3.4844	1.0893	1.0897	1.0901
H8	2.1631	2.7732	3.0439	3.6124	2.8716	1.0893	2.7847		1.7663	1.7652	2.5973	3.1230	3.7903
H9	2.1740	3.4536	2.4673	4.3475	3.7654	1.0897	2.7650	1.7663		1.7645	3.1230	2.5538	3.7650
H10	2.1809	2.7534	2.4883	3.8236	2.5710	1.0901	3.4844	1.7652	1.7645		3.7903	3.7650	4.3314
H11	2.1631	2.7732	3.0439	2.8716	3.6124	2.7847	1.0893	2.5973	3.1230	3.7903		1.7663	1.7652
H12	2.1740	3.4536	2.4673	3.7654	4.3475	2.7650	1.0897	3.1230	2.5538	3.7650	1.7663		1.7645
H13	2.1809	2.7534	2.4883	2.5710	3.8236	3.4844	1.0901	3.7903	3.7650	4.3314	1.7652	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.023	C1	C2	H5	121.023
C1	C6	H8	109.985	C1	C6	H9	110.820
C1	C6	H10	111.351	C1	C7	H11	109.985
C1	C7	H12	110.820	C1	C7	H13	111.351
C2	C1	H3	108.499	C2	C1	C6	111.226
C2	C1	C7	111.226	H3	C1	C6	107.300
H3	C1	C7	107.300	H4	C2	H5	117.703
C6	C1	C7	111.095	H8	C6	H9	108.313
H8	C6	H10	108.186	H9	C6	H10	108.085
H11	C7	H12	108.313	H11	C7	H13	108.186
H12	C7	H13	108.085

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

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 CH2CH(CH3)2 (Isobutyl radical)

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

States and conformations

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