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	hartrees
Energy at 0K	-118.312119
Energy at 298.15K	-118.318365
HF Energy	-118.186158
Nuclear repulsion energy	75.372967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3052	32.23
2	A'	3145	2983	22.60
3	A'	3088	2929	49.48
4	A'	3006	2851	45.76
5	A'	1545	1465	3.82
6	A'	1533	1454	11.70
7	A'	1464	1388	2.74
8	A'	1211	1149	2.94
9	A'	1069	1013	0.17
10	A'	904	857	1.61
11	A'	428	406	17.89
12	A'	365	346	6.61
13	A'	143	136	0.09
14	A"	3146	2983	25.55
15	A"	3087	2928	7.83
16	A"	3001	2846	24.35
17	A"	1534	1455	0.66
18	A"	1522	1444	1.02
19	A"	1460	1385	5.50
20	A"	1409	1336	4.61
21	A"	1175	1115	0.03
22	A"	970	920	1.30
23	A"	962	912	0.32
24	A"	126	120	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.538	0.000
C2	-0.013	-0.198	1.297
C3	-0.013	-0.198	-1.297
H4	0.278	1.584	0.000
H5	-0.742	-1.017	1.290
H6	-0.742	-1.017	-1.290
H7	0.966	-0.658	1.512
H8	-0.248	0.459	2.139
H9	0.966	-0.658	-1.512
H10	-0.248	0.459	-2.139

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4914	1.4914	1.0855	2.1480	2.1480	2.1623	2.1529	2.1623	2.1529
C2	1.4914		2.5937	2.2234	1.0964	2.8094	1.1028	1.0935	3.0098	3.5055
C3	1.4914	2.5937		2.2234	2.8094	1.0964	3.0098	3.5055	1.1028	1.0935
H4	1.0855	2.2234	2.2234		3.0772	3.0772	2.7906	2.4731	2.7906	2.4731
H5	2.1480	1.0964	2.8094	3.0772		2.5795	1.7599	1.7726	3.3011	3.7649
H6	2.1480	2.8094	1.0964	3.0772	2.5795		3.3011	3.7649	1.7599	1.7726
H7	2.1623	1.1028	3.0098	2.7906	1.7599	3.3011		1.7649	3.0237	4.0059
H8	2.1529	1.0935	3.5055	2.4731	1.7726	3.7649	1.7649		4.0059	4.2770
H9	2.1623	3.0098	1.1028	2.7906	3.3011	1.7599	3.0237	4.0059		1.7649
H10	2.1529	3.5055	1.0935	2.4731	3.7649	1.7726	4.0059	4.2770	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.289	C1	C2	H7	112.051
C1	C2	H8	111.868	C1	C3	H6	111.289
C1	C3	H9	112.051	C1	C3	H10	111.868
C2	C1	C3	120.805	C2	C1	H4	118.417
C3	C1	H4	118.417	H5	C2	H7	106.308
H5	C2	H8	108.082	H6	C3	H9	106.308
H6	C3	H10	108.082	H7	C2	H8	106.950
H9	C3	H10	106.950

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

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

States and conformations

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