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	hartrees
Energy at 0K	-118.108476
Energy at 298.15K	-118.114672
HF Energy	-117.656156
Nuclear repulsion energy	75.075402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3036
2	A'	3093	2977
3	A'	3033	2920
4	A'	2956	2846
5	A'	1518	1461
6	A'	1506	1449
7	A'	1441	1388
8	A'	1196	1151
9	A'	1053	1014
10	A'	894	861
11	A'	408	393
12	A'	350	337
13	A'	147	142
14	A"	3094	2978
15	A"	3032	2919
16	A"	2953	2843
17	A"	1507	1450
18	A"	1493	1437
19	A"	1442	1388
20	A"	1388	1336
21	A"	1161	1117
22	A"	958	922
23	A"	946	911
24	A"	114	110

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.546	0.000
C2	-0.013	-0.201	1.300
C3	-0.013	-0.201	-1.300
H4	0.281	1.596	0.000
H5	-0.783	-0.987	1.306
H6	-0.783	-0.987	-1.306
H7	0.954	-0.707	1.483
H8	-0.198	0.465	2.152
H9	0.954	-0.707	-1.483
H10	-0.198	0.465	-2.152

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4994	1.4994	1.0905	2.1557	2.1557	2.1682	2.1613	2.1682	2.1613
C2	1.4994		2.6007	2.2373	1.1005	2.8288	1.1061	1.0969	2.9893	3.5208
C3	1.4994	2.6007		2.2373	2.8288	1.1005	2.9893	3.5208	1.1061	1.0969
H4	1.0905	2.2373	2.2373		3.0836	3.0836	2.8198	2.4775	2.8198	2.4775
H5	2.1557	1.1005	2.8288	3.0836		2.6113	1.7683	1.7798	3.2971	3.7956
H6	2.1557	2.8288	1.1005	3.0836	2.6113		3.2971	3.7956	1.7683	1.7798
H7	2.1682	1.1061	2.9893	2.8198	1.7683	3.2971		1.7741	2.9655	3.9887
H8	2.1613	1.0969	3.5208	2.4775	1.7798	3.7956	1.7741		3.9887	4.3037
H9	2.1682	2.9893	1.1061	2.8198	3.2971	1.7683	2.9655	3.9887		1.7741
H10	2.1613	3.5208	1.0969	2.4775	3.7956	1.7798	3.9887	4.3037	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.095	C1	C2	H7	111.751
C1	C2	H8	111.764	C1	C3	H6	111.095
C1	C3	H9	111.751	C1	C3	H10	111.764
C2	C1	C3	120.273	C2	C1	H4	118.652
C3	C1	H4	118.652	H5	C2	H7	106.518
H5	C2	H8	108.183	H6	C3	H9	106.518
H6	C3	H10	108.183	H7	C2	H8	107.280
H9	C3	H10	107.280

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

using model chemistry: CCSD(T)/6-311G*

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)/6-311G*

States and conformations

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