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	hartrees
Energy at 0K	-118.108814
Energy at 298.15K	-118.114995
HF Energy	-117.656148
Nuclear repulsion energy	75.064989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3036
2	A'	3092	2977
3	A'	3032	2919
4	A'	2955	2845
5	A'	1518	1461
6	A'	1505	1449
7	A'	1441	1387
8	A'	1195	1151
9	A'	1053	1013
10	A'	893	860
11	A'	409	393
12	A'	349	336
13	A'	145	140
14	A"	3093	2978
15	A"	3031	2919
16	A"	2951	2842
17	A"	1506	1450
18	A"	1493	1437
19	A"	1441	1387
20	A"	1387	1335
21	A"	1160	1117
22	A"	957	921
23	A"	946	910
24	A"	108	104

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.546	0.000
C2	-0.013	-0.201	1.301
C3	-0.013	-0.201	-1.301
H4	0.284	1.595	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		1.4997	1.4997	1.0906	2.1563	2.1563	2.1686	2.1617	2.1686	2.1617
C2	1.4997		2.6010	2.2374	1.1005	2.8295	1.1062	1.0970	2.9896	3.5213
C3	1.4997	2.6010		2.2374	2.8295	1.1005	2.9896	3.5213	1.1062	1.0970
H4	1.0906	2.2374	2.2374		3.0844	3.0844	2.8193	2.4783	2.8193	2.4783
H5	2.1563	1.1005	2.8295	3.0844		2.6125	1.7680	1.7797	3.2975	3.7964
H6	2.1563	2.8295	1.1005	3.0844	2.6125		3.2975	3.7964	1.7680	1.7797
H7	2.1686	1.1062	2.9896	2.8193	1.7680	3.2975		1.7743	2.9657	3.9893
H8	2.1617	1.0970	3.5213	2.4783	1.7797	3.7964	1.7743		3.9893	4.3046
H9	2.1686	2.9896	1.1062	2.8193	3.2975	1.7680	2.9657	3.9893		1.7743
H10	2.1617	3.5213	1.0970	2.4783	3.7964	1.7797	3.9893	4.3046	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.119	C1	C2	H7	111.760
C1	C2	H8	111.777	C1	C3	H6	111.119
C1	C3	H9	111.760	C1	C3	H10	111.777
C2	C1	C3	120.266	C2	C1	H4	118.634
C3	C1	H4	118.634	H5	C2	H7	106.485
H5	C2	H8	108.165	H6	C3	H9	106.485
H6	C3	H10	108.165	H7	C2	H8	107.283
H9	C3	H10	107.283

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

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

States and conformations

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