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	hartrees
Energy at 0K	-118.076912
Energy at 298.15K	-118.083272
HF Energy	-117.647317
Nuclear repulsion energy	75.686136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	3068	28.47
2	A'	3223	3011	19.61
3	A'	3169	2961	45.72
4	A'	3082	2880	27.65
5	A'	1558	1455	3.42
6	A'	1547	1446	10.90
7	A'	1473	1376	2.92
8	A'	1224	1144	2.28
9	A'	1085	1014	0.09
10	A'	921	860	1.43
11	A'	459	429	19.06
12	A'	370	346	3.64
13	A'	166	155	0.08
14	A"	3223	3012	18.58
15	A"	3169	2961	4.32
16	A"	3080	2878	24.53
17	A"	1548	1447	0.36
18	A"	1536	1435	1.19
19	A"	1477	1380	7.27
20	A"	1422	1328	3.35
21	A"	1196	1118	0.00
22	A"	976	912	0.81
23	A"	967	904	0.42
24	A"	136	127	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.544	0.000
C2	-0.015	-0.200	1.290
C3	-0.015	-0.200	-1.290
H4	0.332	1.568	0.000
H5	-0.759	-0.996	1.281
H6	-0.759	-0.996	-1.281
H7	0.953	-0.676	1.484
H8	-0.228	0.454	2.133
H9	0.953	-0.676	-1.484
H10	-0.228	0.454	-2.133

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4892	1.4892	1.0805	2.1373	2.1373	2.1512	2.1456	2.1512	2.1456
C2	1.4892		2.5800	2.2153	1.0902	2.7925	1.0956	1.0877	2.9764	3.4914
C3	1.4892	2.5800		2.2153	2.7925	1.0902	2.9764	3.4914	1.0956	1.0877
H4	1.0805	2.2153	2.2153		3.0668	3.0668	2.7606	2.4707	2.7606	2.4707
H5	2.1373	1.0902	2.7925	3.0668		2.5618	1.7531	1.7638	3.2677	3.7470
H6	2.1373	2.7925	1.0902	3.0668	2.5618		3.2677	3.7470	1.7531	1.7638
H7	2.1512	1.0956	2.9764	2.7606	1.7531	3.2677		1.7579	2.9685	3.9692
H8	2.1456	1.0877	3.4914	2.4707	1.7638	3.7470	1.7579		3.9692	4.2661
H9	2.1512	2.9764	1.0956	2.7606	3.2677	1.7531	2.9685	3.9692		1.7579
H10	2.1456	3.4914	1.0877	2.4707	3.7470	1.7638	3.9692	4.2661	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.971	C1	C2	H7	111.760
C1	C2	H8	111.794	C1	C3	H6	110.971
C1	C3	H9	111.760	C1	C3	H10	111.794
C2	C1	C3	120.048	C2	C1	H4	118.240
C3	C1	H4	118.240	H5	C2	H7	106.655
H5	C2	H8	108.165	H6	C3	H9	106.655
H6	C3	H10	108.165	H7	C2	H8	107.253
H9	C3	H10	107.253

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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