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	hartrees
Energy at 0K	-117.846355
Energy at 298.15K	-117.852687
HF Energy	-117.590515
Nuclear repulsion energy	74.721762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3075	37.09
2	A'	3136	3001	26.22
3	A'	3084	2951	59.99
4	A'	3009	2879	35.97
5	A'	1574	1506	5.00
6	A'	1557	1489	13.09
7	A'	1496	1431	3.57
8	A'	1238	1185	3.41
9	A'	1105	1057	0.21
10	A'	897	858	1.22
11	A'	451	432	21.73
12	A'	375	359	4.96
13	A'	150	143	0.11
14	A"	3136	3001	25.70
15	A"	3083	2950	5.05
16	A"	3007	2877	26.87
17	A"	1565	1498	1.41
18	A"	1548	1481	0.72
19	A"	1481	1417	5.10
20	A"	1444	1382	7.50
21	A"	1187	1135	0.18
22	A"	1007	963	0.59
23	A"	987	944	0.83
24	A"	129	124	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.544	0.000
C2	-0.012	-0.202	1.312
C3	-0.012	-0.202	-1.312
H4	0.290	1.591	0.000
H5	-0.749	-1.020	1.296
H6	-0.749	-1.020	-1.296
H7	0.971	-0.660	1.531
H8	-0.258	0.463	2.152
H9	0.971	-0.660	-1.531
H10	-0.258	0.463	-2.152

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5096	1.5096	1.0898	2.1611	2.1611	2.1817	2.1675	2.1817	2.1675
C2	1.5096		2.6249	2.2426	1.1012	2.8316	1.1063	1.0985	3.0432	3.5361
C3	1.5096	2.6249		2.2426	2.8316	1.1012	3.0432	3.5361	1.1063	1.0985
H4	1.0898	2.2426	2.2426		3.0951	3.0951	2.8063	2.4910	2.8063	2.4910
H5	2.1611	1.1012	2.8316	3.0951		2.5926	1.7728	1.7809	3.3288	3.7855
H6	2.1611	2.8316	1.1012	3.0951	2.5926		3.3288	3.7855	1.7728	1.7809
H7	2.1817	1.1063	3.0432	2.8063	1.7728	3.3288		1.7765	3.0618	4.0415
H8	2.1675	1.0985	3.5361	2.4910	1.7809	3.7855	1.7765		4.0415	4.3039
H9	2.1817	3.0432	1.1063	2.8063	3.3288	1.7728	3.0618	4.0415		1.7765
H10	2.1675	3.5361	1.0985	2.4910	3.7855	1.7809	4.0415	4.3039	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.762	C1	C2	H7	112.103
C1	C2	H8	111.440	C1	C3	H6	110.762
C1	C3	H9	112.103	C1	C3	H10	111.440
C2	C1	C3	120.769	C2	C1	H4	118.347
C3	C1	H4	118.347	H5	C2	H7	106.844
H5	C2	H8	108.112	H6	C3	H9	106.844
H6	C3	H10	108.112	H7	C2	H8	107.359
H9	C3	H10	107.359

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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