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	hartrees
Energy at 0K	-117.253595
Energy at 298.15K	-117.259879
HF Energy	-116.985556
Nuclear repulsion energy	74.863270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3006	25.82
2	A'	3153	2933	17.93
3	A'	3108	2892	43.79
4	A'	3047	2835	31.80
5	A'	1606	1494	5.41
6	A'	1596	1485	13.74
7	A'	1514	1409	5.08
8	A'	1247	1160	5.13
9	A'	1114	1037	0.89
10	A'	868	808	1.25
11	A'	422	393	15.88
12	A'	359	334	11.87
13	A'	145	135	0.19
14	A"	3153	2934	22.86
15	A"	3105	2890	4.53
16	A"	3042	2830	15.96
17	A"	1596	1485	1.82
18	A"	1585	1475	0.56
19	A"	1498	1394	5.19
20	A"	1439	1339	7.67
21	A"	1140	1060	0.24
22	A"	1021	951	0.53
23	A"	1003	933	1.09
24	A"	132	122	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.554	0.000
C2	-0.012	-0.205	1.308
C3	-0.012	-0.205	-1.308
H4	0.295	1.594	0.000
H5	-0.776	-0.992	1.295
H6	-0.776	-0.992	-1.295
H7	0.958	-0.693	1.491
H8	-0.217	0.459	2.153
H9	0.958	-0.693	-1.491
H10	-0.217	0.459	-2.153

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5125	1.5125	1.0846	2.1565	2.1565	2.1716	2.1647	2.1716	2.1647
C2	1.5125		2.6166	2.2455	1.0964	2.8252	1.1007	1.0939	3.0020	3.5304
C3	1.5125	2.6166		2.2455	2.8252	1.0964	3.0020	3.5304	1.1007	1.0939
H4	1.0846	2.2455	2.2455		3.0842	3.0842	2.8085	2.4870	2.8085	2.4870
H5	2.1565	1.0964	2.8252	3.0842		2.5910	1.7698	1.7759	3.2949	3.7829
H6	2.1565	2.8252	1.0964	3.0842	2.5910		3.2949	3.7829	1.7698	1.7759
H7	2.1716	1.1007	3.0020	2.8085	1.7698	3.2949		1.7733	2.9812	3.9976
H8	2.1647	1.0939	3.5304	2.4870	1.7759	3.7829	1.7733		3.9976	4.3059
H9	2.1716	3.0020	1.1007	2.8085	3.2949	1.7698	2.9812	3.9976		1.7733
H10	2.1647	3.5304	1.0939	2.4870	3.7829	1.7759	3.9976	4.3059	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.489	C1	C2	H7	111.431
C1	C2	H8	111.299	C1	C3	H6	110.489
C1	C3	H9	111.431	C1	C3	H10	111.299
C2	C1	C3	119.768	C2	C1	H4	118.760
C3	C1	H4	118.760	H5	C2	H7	107.317
H5	C2	H8	108.348	H6	C3	H9	107.317
H6	C3	H10	108.348	H7	C2	H8	107.802
H9	C3	H10	107.802

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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