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	hartrees
Energy at 0K	-118.106778
Energy at 298.15K	-118.113011
HF Energy	-117.644777
Nuclear repulsion energy	74.779006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3022	30.32
2	A'	3137	2972	19.04
3	A'	3082	2919	49.60
4	A'	3001	2843	39.76
5	A'	1488	1410	3.20
6	A'	1481	1403	11.12
7	A'	1417	1342	2.48
8	A'	1184	1122	1.82
9	A'	1042	987	0.13
10	A'	900	852	1.56
11	A'	424	402	16.01
12	A'	355	336	4.86
13	A'	151	143	0.08
14	A"	3138	2973	22.69
15	A"	3081	2919	6.23
16	A"	2997	2839	27.94
17	A"	1480	1402	0.08
18	A"	1471	1394	1.48
19	A"	1429	1353	5.49
20	A"	1367	1295	3.89
21	A"	1163	1101	0.00
22	A"	942	892	0.49
23	A"	936	887	0.40
24	A"	121	115	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.548	0.000
C2	-0.014	-0.201	1.303
C3	-0.014	-0.201	-1.303
H4	0.315	1.596	0.000
H5	-0.770	-1.011	1.298
H6	-0.770	-1.011	-1.298
H7	0.969	-0.686	1.499
H8	-0.227	0.464	2.159
H9	0.969	-0.686	-1.499
H10	-0.227	0.464	-2.159

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5033	1.5033	1.0983	2.1650	2.1650	2.1758	2.1709	2.1758	2.1709
C2	1.5033		2.6064	2.2442	1.1074	2.8275	1.1131	1.1044	3.0086	3.5317
C3	1.5033	2.6064		2.2442	2.8275	1.1074	3.0086	3.5317	1.1131	1.1044
H4	1.0983	2.2442	2.2442		3.1077	3.1077	2.8069	2.4971	2.8069	2.4971
H5	2.1650	1.1074	2.8275	3.1077		2.5968	1.7800	1.7917	3.3094	3.7977
H6	2.1650	2.8275	1.1074	3.1077	2.5968		3.3094	3.7977	1.7800	1.7917
H7	2.1758	1.1131	3.0086	2.8069	1.7800	3.3094		1.7850	2.9975	4.0160
H8	2.1709	1.1044	3.5317	2.4971	1.7917	3.7977	1.7850		4.0160	4.3176
H9	2.1758	3.0086	1.1131	2.8069	3.3094	1.7800	2.9975	4.0160		1.7850
H10	2.1709	3.5317	1.1044	2.4971	3.7977	1.7917	4.0160	4.3176	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.142	C1	C2	H7	111.661
C1	C2	H8	111.800	C1	C3	H6	111.142
C1	C3	H9	111.661	C1	C3	H10	111.800
C2	C1	C3	120.202	C2	C1	H4	118.396
C3	C1	H4	118.396	H5	C2	H7	106.570
H5	C2	H8	108.205	H6	C3	H9	106.570
H6	C3	H10	108.205	H7	C2	H8	107.213
H9	C3	H10	107.213

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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