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	hartrees
Energy at 0K	-118.246084
Energy at 298.15K
HF Energy	-117.679488
Nuclear repulsion energy	75.435905

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.546	0.000
C2	-0.012	-0.201	1.294
C3	-0.012	-0.201	-1.294
H4	0.266	1.592	0.000
H5	-0.765	-0.995	1.289
H6	-0.765	-0.995	-1.289
H7	0.956	-0.690	1.480
H8	-0.212	0.456	2.142
H9	0.956	-0.690	-1.480
H10	-0.212	0.456	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4934	1.4934	1.0831	2.1455	2.1455	2.1571	2.1533	2.1571	2.1533
C2	1.4934		2.5872	2.2283	1.0948	2.8053	1.1005	1.0911	2.9781	3.5036
C3	1.4934	2.5872		2.2283	2.8053	1.0948	2.9781	3.5036	1.1005	1.0911
H4	1.0831	2.2283	2.2283		3.0694	3.0694	2.8059	2.4717	2.8059	2.4717
H5	2.1455	1.0948	2.8053	3.0694		2.5784	1.7584	1.7717	3.2747	3.7664
H6	2.1455	2.8053	1.0948	3.0694	2.5784		3.2747	3.7664	1.7584	1.7717
H7	2.1571	1.1005	2.9781	2.8059	1.7584	3.2747		1.7646	2.9598	3.9742
H8	2.1533	1.0911	3.5036	2.4717	1.7717	3.7664	1.7646		3.9742	4.2843
H9	2.1571	2.9781	1.1005	2.8059	3.2747	1.7584	2.9598	3.9742		1.7646
H10	2.1533	3.5036	1.0911	2.4717	3.7664	1.7717	3.9742	4.2843	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.049	C1	C2	H7	111.634
C1	C2	H8	111.909	C1	C3	H6	111.049
C1	C3	H9	111.634	C1	C3	H10	111.909
C2	C1	C3	120.047	C2	C1	H4	118.873
C3	C1	H4	118.873	H5	C2	H7	106.452
H5	C2	H8	108.292	H6	C3	H9	106.452
H6	C3	H10	108.292	H7	C2	H8	107.252
H9	C3	H10	107.252

All results from a given calculation for CH₃CHCH₃ (Isopropyl radical)

using model chemistry: CCSD(T)/cc-pVTZ

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 CH3CHCH3 (Isopropyl radical)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CHCH₃ (Isopropyl radical)