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	hartrees
Energy at 0K	-118.228543
Energy at 298.15K	-118.222444
HF Energy	-117.636136
Nuclear repulsion energy	75.417153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3137	48.56
2	A'	3261	3072	35.29
3	A'	3220	3034	70.77
4	A'	3152	2970	58.94
5	A'	1639	1544	3.03
6	A'	1633	1539	9.34
7	A'	1568	1478	1.88
8	A'	1288	1214	2.09
9	A'	1143	1077	0.25
10	A'	929	875	1.49
11	A'	473	446	16.66
12	A'	374	352	3.96
13	A'	164	155	0.17
14	A"	3261	3073	37.66
15	A"	3217	3031	10.86
16	A"	3147	2965	28.52
17	A"	1630	1536	0.50
18	A"	1622	1528	0.91
19	A"	1565	1474	3.35
20	A"	1491	1405	6.78
21	A"	1210	1140	0.17
22	A"	1036	976	0.20
23	A"	1019	961	0.39
24	A"	130	123	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.544	0.000
C2	0.014	-0.200	1.292
C3	0.014	-0.200	-1.292
H4	-0.323	1.575	0.000
H5	-0.955	-0.685	1.485
H6	-0.955	-0.685	-1.485
H7	0.767	-0.995	1.287
H8	0.222	0.460	2.138
H9	0.767	-0.995	-1.287
H10	0.222	0.460	-2.138

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4903	1.4903	1.0853	2.1572	2.1572	2.1426	2.1500	2.1426	2.1500
C2	1.4903		2.5836	2.2207	1.1010	2.9810	1.0955	1.0928	2.8015	3.4991
C3	1.4903	2.5836		2.2207	2.9810	1.1010	2.8015	3.4991	1.0955	1.0928
H4	1.0853	2.2207	2.2207		2.7767	2.7767	3.0743	2.4726	3.0743	2.4726
H5	2.1572	1.1010	2.9810	2.7767		2.9703	1.7611	1.7666	3.2780	3.9779
H6	2.1572	2.9810	1.1010	2.7767	2.9703		3.2780	3.9779	1.7611	1.7666
H7	2.1426	1.0955	2.8015	3.0743	1.7611	3.2780		1.7720	2.5733	3.7610
H8	2.1500	1.0928	3.4991	2.4726	1.7666	3.9779	1.7720		3.7610	4.2767
H9	2.1426	2.8015	1.0955	3.0743	3.2780	1.7611	2.5733	3.7610		1.7720
H10	2.1500	3.4991	1.0928	2.4726	3.9779	1.7666	3.7610	4.2767	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.209	C1	C2	H7	111.707
C1	C2	H8	111.523	C1	C3	H6	111.209
C1	C3	H9	111.707	C1	C3	H10	111.523
C2	C1	C3	120.361	C2	C1	H4	117.881
C3	C1	H4	117.881	H5	C2	H7	106.920
H5	C2	H8	107.954	H6	C3	H9	106.920
H6	C3	H10	107.954	H7	C2	H8	107.296
H9	C3	H10	107.296

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

using model chemistry: G3MP2

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: G3MP2

States and conformations

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