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	hartrees
Energy at 0K	-118.121502
Energy at 298.15K	-118.127778
HF Energy	-117.652568
Nuclear repulsion energy	75.562112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3082	18.02
2	A'	3195	3018	12.73
3	A'	3140	2966	29.72
4	A'	3057	2888	20.01
5	A'	1526	1441	4.09
6	A'	1517	1432	12.44
7	A'	1436	1357	3.89
8	A'	1199	1133	3.36
9	A'	1054	996	0.14
10	A'	908	858	1.63
11	A'	437	413	18.09
12	A'	356	337	5.05
13	A'	155	147	0.05
14	A"	3196	3018	12.75
15	A"	3141	2967	3.52
16	A"	3056	2886	19.22
17	A"	1515	1431	0.45
18	A"	1504	1421	1.00
19	A"	1438	1358	8.52
20	A"	1388	1311	2.65
21	A"	1178	1112	0.06
22	A"	953	900	1.03
23	A"	946	894	0.43
24	A"	128	121	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.547	0.000
C2	-0.014	-0.200	1.290
C3	-0.014	-0.200	-1.290
H4	0.317	1.577	0.000
H5	-0.761	-0.999	1.283
H6	-0.761	-0.999	-1.283
H7	0.954	-0.681	1.481
H8	-0.222	0.452	2.139
H9	0.954	-0.681	-1.481
H10	-0.222	0.452	-2.139

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4909	1.4909	1.0822	2.1430	2.1430	2.1546	2.1515	2.1546	2.1515
C2	1.4909		2.5805	2.2211	1.0931	2.7959	1.0986	1.0905	2.9753	3.4972
C3	1.4909	2.5805		2.2211	2.7959	1.0931	2.9753	3.4972	1.0986	1.0905
H4	1.0822	2.2211	2.2211		3.0729	3.0729	2.7753	2.4765	2.7753	2.4765
H5	2.1430	1.0931	2.7959	3.0729		2.5662	1.7556	1.7685	3.2688	3.7560
H6	2.1430	2.7959	1.0931	3.0729	2.5662		3.2688	3.7560	1.7556	1.7685
H7	2.1546	1.0986	2.9753	2.7753	1.7556	3.2688		1.7612	2.9628	3.9722
H8	2.1515	1.0905	3.4972	2.4765	1.7685	3.7560	1.7612		3.9722	4.2787
H9	2.1546	2.9753	1.0986	2.7753	3.2688	1.7556	2.9628	3.9722		1.7612
H10	2.1515	3.4972	1.0905	2.4765	3.7560	1.7685	3.9722	4.2787	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.124	C1	C2	H7	111.721
C1	C2	H8	111.977	C1	C3	H6	111.124
C1	C3	H9	111.721	C1	C3	H10	111.977
C2	C1	C3	119.860	C2	C1	H4	118.490
C3	C1	H4	118.490	H5	C2	H7	106.454
H5	C2	H8	108.174	H6	C3	H9	106.454
H6	C3	H10	108.174	H7	C2	H8	107.124
H9	C3	H10	107.124

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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