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	hartrees
Energy at 0K	-118.336643
Energy at 298.15K
HF Energy	-118.196777
Nuclear repulsion energy	75.458122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3224	30.86
2	A'	3153	3153	22.43
3	A'	3094	3094	50.67
4	A'	3012	3012	42.98
5	A'	1531	1531	3.20
6	A'	1520	1520	10.59
7	A'	1450	1450	2.54
8	A'	1204	1204	2.72
9	A'	1059	1059	0.12
10	A'	902	902	1.55
11	A'	424	424	16.59
12	A'	363	363	6.18
13	A'	141	141	0.11
14	A"	3153	3153	24.60
15	A"	3093	3093	7.00
16	A"	3008	3008	25.49
17	A"	1520	1520	0.35
18	A"	1509	1509	1.02
19	A"	1450	1450	5.79
20	A"	1399	1399	4.53
21	A"	1172	1172	0.03
22	A"	962	962	1.24
23	A"	955	955	0.18
24	A"	122	122	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.538	0.000
C2	-0.013	-0.198	1.296
C3	-0.013	-0.198	-1.296
H4	0.272	1.584	0.000
H5	-0.744	-1.012	1.290
H6	-0.744	-1.012	-1.290
H7	0.963	-0.661	1.507
H8	-0.242	0.458	2.137
H9	0.963	-0.661	-1.507
H10	-0.242	0.458	-2.137

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4907	1.4907	1.0837	2.1456	2.1456	2.1593	2.1507	2.1593	2.1507
C2	1.4907		2.5917	2.2221	1.0943	2.8078	1.1004	1.0912	3.0037	3.5024
C3	1.4907	2.5917		2.2221	2.8078	1.0943	3.0037	3.5024	1.1004	1.0912
H4	1.0837	2.2221	2.2221		3.0720	3.0720	2.7914	2.4697	2.7914	2.4697
H5	2.1456	1.0943	2.8078	3.0720		2.5798	1.7562	1.7692	3.2954	3.7623
H6	2.1456	2.8078	1.0943	3.0720	2.5798		3.2954	3.7623	1.7562	1.7692
H7	2.1593	1.1004	3.0037	2.7914	1.7562	3.2954		1.7614	3.0140	3.9980
H8	2.1507	1.0912	3.5024	2.4697	1.7692	3.7623	1.7614		3.9980	4.2737
H9	2.1593	3.0037	1.1004	2.7914	3.2954	1.7562	3.0140	3.9980		1.7614
H10	2.1507	3.5024	1.0912	2.4697	3.7623	1.7692	3.9980	4.2737	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.280	C1	C2	H7	112.012
C1	C2	H8	111.886	C1	C3	H6	111.280
C1	C3	H9	112.012	C1	C3	H10	111.886
C2	C1	C3	120.755	C2	C1	H4	118.488
C3	C1	H4	118.488	H5	C2	H7	106.300
H5	C2	H8	108.097	H6	C3	H9	106.300
H6	C3	H10	108.097	H7	C2	H8	106.974
H9	C3	H10	106.974

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

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