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	hartrees
Energy at 0K	-118.199720
Energy at 298.15K	-118.193697
HF Energy	-117.635037
Nuclear repulsion energy	75.281682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3314	49.62
2	A'	3250	3250	34.08
3	A'	3210	3210	70.31
4	A'	3140	3140	53.75
5	A'	1630	1630	3.29
6	A'	1624	1624	9.37
7	A'	1554	1554	2.05
8	A'	1279	1279	2.15
9	A'	1135	1135	0.24
10	A'	925	925	1.61
11	A'	482	482	16.75
12	A'	373	373	3.15
13	A'	167	167	0.15
14	A"	3251	3251	34.92
15	A"	3206	3206	10.24
16	A"	3134	3134	30.31
17	A"	1621	1621	0.46
18	A"	1612	1612	0.90
19	A"	1552	1552	3.79
20	A"	1478	1478	5.97
21	A"	1204	1204	0.14
22	A"	1025	1025	0.23
23	A"	1010	1010	0.45
24	A"	133	133	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	0.546	0.000
C2	-0.016	-0.201	1.303
C3	-0.016	-0.201	-1.303
H4	0.367	1.556	0.000
H5	-0.766	-0.992	1.304
H6	-0.766	-0.992	-1.304
H7	0.950	-0.678	1.496
H8	-0.223	0.459	2.142
H9	0.950	-0.678	-1.496
H10	-0.223	0.459	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5022	1.5022	1.0803	2.1516	2.1516	2.1609	2.1540	2.1609	2.1540
C2	1.5022		2.6060	2.2211	1.0896	2.8260	1.0944	1.0878	2.9987	3.5141
C3	1.5022	2.6060		2.2211	2.8260	1.0896	2.9987	3.5141	1.0944	1.0878
H4	1.0803	2.2211	2.2211		3.0786	3.0786	2.7515	2.4783	2.7515	2.4783
H5	2.1516	1.0896	2.8260	3.0786		2.6090	1.7545	1.7609	3.2988	3.7788
H6	2.1516	2.8260	1.0896	3.0786	2.6090		3.2988	3.7788	1.7545	1.7609
H7	2.1609	1.0944	2.9987	2.7515	1.7545	3.2988		1.7573	2.9911	3.9879
H8	2.1540	1.0878	3.5141	2.4783	1.7609	3.7788	1.7573		3.9879	4.2846
H9	2.1609	2.9987	1.0944	2.7515	3.2988	1.7545	2.9911	3.9879		1.7573
H10	2.1540	3.5141	1.0878	2.4783	3.7788	1.7609	3.9879	4.2846	1.7573

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.234	C1	C2	H7	111.693
C1	C2	H8	111.547	C1	C3	H6	111.234
C1	C3	H9	111.693	C1	C3	H10	111.547
C2	C1	C3	120.318	C2	C1	H4	117.726
C3	C1	H4	117.726	H5	C2	H7	106.904
H5	C2	H8	107.947	H6	C3	H9	106.904
H6	C3	H10	107.947	H7	C2	H8	107.281
H9	C3	H10	107.281

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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