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	hartrees
Energy at 0K	-118.019231
Energy at 298.15K	-118.025573
HF Energy	-117.635700
Nuclear repulsion energy	75.501092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3066	26.90
2	A'	3191	3007	17.89
3	A'	3136	2955	42.43
4	A'	3054	2877	28.21
5	A'	1562	1472	4.61
6	A'	1550	1460	13.81
7	A'	1479	1393	4.09
8	A'	1228	1157	3.01
9	A'	1088	1025	0.19
10	A'	921	868	1.70
11	A'	453	427	20.92
12	A'	369	348	5.21
13	A'	163	154	0.10
14	A"	3192	3007	18.33
15	A"	3137	2955	4.39
16	A"	3052	2875	21.90
17	A"	1552	1462	0.96
18	A"	1539	1450	1.36
19	A"	1480	1395	8.68
20	A"	1427	1344	2.02
21	A"	1199	1130	0.02
22	A"	982	925	0.85
23	A"	972	916	0.75
24	A"	137	129	0.01

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	111.830	C1	C2	H7	110.989
C1	C2	H8	111.757	C1	C3	H6	111.830
C1	C3	H9	110.989	C1	C3	H10	111.757
C2	C1	C3	120.181	C2	C1	H4	118.288
C3	C1	H4	118.288	H5	C2	H7	106.607
H5	C2	H8	107.270	H6	C3	H9	106.607
H6	C3	H10	107.270	H7	C2	H8	108.142
H9	C3	H10	108.142

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

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

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