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	hartrees
Energy at 0K	-118.184161
Energy at 298.15K	-118.190380
HF Energy	-117.652405
Nuclear repulsion energy	75.270303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3211	3211
2	A'	3144	3144
3	A'	3089	3089
4	A'	3011	3011
5	A'	1515	1515
6	A'	1507	1507
7	A'	1432	1432
8	A'	1191	1191
9	A'	1048	1048
10	A'	893	893
11	A'	421	421
12	A'	352	352
13	A'	145	145
14	A"	3145	3145
15	A"	3089	3089
16	A"	3008	3008
17	A"	1506	1506
18	A"	1495	1495
19	A"	1431	1431
20	A"	1380	1380
21	A"	1160	1160
22	A"	950	950
23	A"	940	940
24	A"	123	123

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.546	0.000
C2	-0.013	-0.201	1.297
C3	-0.013	-0.201	-1.297
H4	0.291	1.588	0.000
H5	-0.756	-1.007	1.289
H6	-0.756	-1.007	-1.289
H7	0.961	-0.676	1.495
H8	-0.231	0.455	2.144
H9	0.961	-0.676	-1.495
H10	-0.231	0.455	-2.144

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4969	1.4969	1.0855	2.1507	2.1507	2.1631	2.1572	2.1631	2.1572
C2	1.4969		2.5945	2.2306	1.0963	2.8089	1.1019	1.0934	2.9957	3.5103
C3	1.4969	2.5945		2.2306	2.8089	1.0963	2.9957	3.5103	1.1019	1.0934
H4	1.0855	2.2306	2.2306		3.0810	3.0810	2.7946	2.4806	2.7946	2.4806
H5	2.1507	1.0963	2.8089	3.0810		2.5777	1.7609	1.7739	3.2879	3.7685
H6	2.1507	2.8089	1.0963	3.0810	2.5777		3.2879	3.7685	1.7609	1.7739
H7	2.1631	1.1019	2.9957	2.7946	1.7609	3.2879		1.7666	2.9910	3.9935
H8	2.1572	1.0934	3.5103	2.4806	1.7739	3.7685	1.7666		3.9935	4.2886
H9	2.1631	2.9957	1.1019	2.7946	3.2879	1.7609	2.9910	3.9935		1.7666
H10	2.1572	3.5103	1.0934	2.4806	3.7685	1.7739	3.9935	4.2886	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.119	C1	C2	H7	111.780
C1	C2	H8	111.830	C1	C3	H6	111.119
C1	C3	H9	111.780	C1	C3	H10	111.830
C2	C1	C3	120.134	C2	C1	H4	118.615
C3	C1	H4	118.615	H5	C2	H7	106.463
H5	C2	H8	108.217	H6	C3	H9	106.463
H6	C3	H10	108.217	H7	C2	H8	107.174
H9	C3	H10	107.174

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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)/6-31G(2df,p)

States and conformations

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