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	hartrees
Energy at 0K	-117.281482
Energy at 298.15K	-117.287734
HF Energy	-116.984897
Nuclear repulsion energy	74.598980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3033	25.61
2	A'	3093	2959	18.46
3	A'	3048	2915	43.85
4	A'	2985	2855	30.55
5	A'	1580	1512	4.98
6	A'	1570	1501	12.70
7	A'	1487	1422	4.58
8	A'	1224	1171	4.74
9	A'	1097	1049	0.76
10	A'	853	816	1.14
11	A'	419	401	16.36
12	A'	356	340	10.59
13	A'	143	137	0.15
14	A"	3093	2959	22.47
15	A"	3046	2913	4.47
16	A"	2982	2852	15.70
17	A"	1571	1502	1.65
18	A"	1559	1491	0.52
19	A"	1472	1408	4.12
20	A"	1415	1354	7.48
21	A"	1120	1072	0.27
22	A"	1004	961	0.63
23	A"	985	942	0.95
24	A"	132	126	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.555	0.000
C2	-0.013	-0.206	1.312
C3	-0.013	-0.206	-1.312
H4	0.298	1.599	0.000
H5	-0.776	-1.000	1.297
H6	-0.776	-1.000	-1.297
H7	0.963	-0.691	1.499
H8	-0.224	0.461	2.160
H9	0.963	-0.691	-1.499
H10	-0.224	0.461	-2.160

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5169	1.5169	1.0895	2.1635	2.1635	2.1798	2.1720	2.1798	2.1720
C2	1.5169		2.6246	2.2533	1.1013	2.8317	1.1058	1.0987	3.0148	3.5417
C3	1.5169	2.6246		2.2533	2.8317	1.1013	3.0148	3.5417	1.1058	1.0987
H4	1.0895	2.2533	2.2533		3.0967	3.0967	2.8170	2.4965	2.8170	2.4965
H5	2.1635	1.1013	2.8317	3.0967		2.5931	1.7778	1.7842	3.3064	3.7926
H6	2.1635	2.8317	1.1013	3.0967	2.5931		3.3064	3.7926	1.7778	1.7842
H7	2.1798	1.1058	3.0148	2.8170	1.7778	3.3064		1.7814	2.9971	4.0149
H8	2.1720	1.0987	3.5417	2.4965	1.7842	3.7926	1.7814		4.0149	4.3194
H9	2.1798	3.0148	1.1058	2.8170	3.3064	1.7778	2.9971	4.0149		1.7814
H10	2.1720	3.5417	1.0987	2.4965	3.7926	1.7842	4.0149	4.3194	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.438	C1	C2	H7	111.465
C1	C2	H8	111.272	C1	C3	H6	110.438
C1	C3	H9	111.465	C1	C3	H10	111.272
C2	C1	C3	119.784	C2	C1	H4	118.738
C3	C1	H4	118.738	H5	C2	H7	107.317
H5	C2	H8	108.380	H6	C3	H9	107.317
H6	C3	H10	108.380	H7	C2	H8	107.815
H9	C3	H10	107.815

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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