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	hartrees
Energy at 0K
Energy at 298.15K	0.006953
HF Energy	0.006953
Nuclear repulsion energy	55.827407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2787	2961	22.67
2	A'	2765	2937	27.19
3	A'	2695	2863	67.51
4	A'	2685	2852	119.30
5	A'	1343	1426	37.15
6	A'	1249	1327	82.57
7	A'	1239	1316	65.08
8	A'	1185	1259	33.69
9	A'	1002	1064	27.03
10	A'	984	1045	24.48
11	A'	601	638	79.84
12	A'	398	423	3.58
13	A'	16	17	0.77
14	A"	2782	2956	39.99
15	A"	2695	2863	24.28
16	A"	2682	2849	0.42
17	A"	1397	1484	78.92
18	A"	1321	1404	87.34
19	A"	1243	1321	5.95
20	A"	1235	1312	12.57
21	A"	1217	1293	1.63
22	A"	948	1007	15.24
23	A"	905	962	0.10
24	A"	57i	61i	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	0.525	0.000
C2	-0.004	-0.197	1.285
C3	-0.004	-0.197	-1.285
H4	0.029	1.600	0.000
H5	-0.621	-1.106	1.255
H6	-0.621	-1.106	-1.255
H7	1.018	-0.514	1.549
H8	-0.375	0.425	2.110
H9	1.018	-0.514	-1.549
H10	-0.375	0.425	-2.110

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4736	1.4736	1.0749	2.1482	2.1482	2.1270	2.1450	2.1270	2.1450
C2	1.4736		2.5691	2.2087	1.0990	2.7666	1.1021	1.0982	3.0291	3.4711
C3	1.4736	2.5691		2.2087	2.7666	1.0990	3.0291	3.4711	1.1021	1.0982
H4	1.0749	2.2087	2.2087		3.0521	3.0521	2.8010	2.4488	2.8010	2.4488
H5	2.1482	1.0990	2.7666	3.0521		2.5093	1.7671	1.7705	3.3013	3.7047
H6	2.1482	2.7666	1.0990	3.0521	2.5093		3.3013	3.7047	1.7671	1.7705
H7	2.1270	1.1021	3.0291	2.8010	1.7671	3.3013		1.7710	3.0988	4.0267
H8	2.1450	1.0982	3.4711	2.4488	1.7705	3.7047	1.7710		4.0267	4.2204
H9	2.1270	3.0291	1.1021	2.8010	3.3013	1.7671	3.0988	4.0267		1.7710
H10	2.1450	3.4711	1.0982	2.4488	3.7047	1.7705	4.0267	4.2204	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	112.430	C1	C2	H7	110.515
C1	C2	H8	112.218	C1	C3	H6	112.430
C1	C3	H9	110.515	C1	C3	H10	112.218
C2	C1	C3	121.320	C2	C1	H4	119.325
C3	C1	H4	119.325	H5	C2	H7	106.802
H5	C2	H8	107.374	H6	C3	H9	106.802
H6	C3	H10	107.374	H7	C2	H8	107.201
H9	C3	H10	107.201

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

using model chemistry: PM6

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: PM6

States and conformations

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