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	hartrees
Energy at 0K	-118.246440
Energy at 298.15K	-118.252599
HF Energy	-117.682693
Nuclear repulsion energy	75.472042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3203	3203
2	A'	3118	3118
3	A'	3056	3056
4	A'	2981	2981
5	A'	1496	1496
6	A'	1488	1488
7	A'	1414	1414
8	A'	1182	1182
9	A'	1035	1035
10	A'	893	893
11	A'	404	404
12	A'	346	346
13	A'	142	142
14	A"	3118	3118
15	A"	3056	3056
16	A"	2979	2979
17	A"	1486	1486
18	A"	1477	1477
19	A"	1421	1421
20	A"	1371	1371
21	A"	1156	1156
22	A"	943	943
23	A"	933	933
24	A"	109	109

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.546	0.000
C2	-0.012	-0.201	1.293
C3	-0.012	-0.201	-1.293
H4	0.264	1.592	0.000
H5	-0.770	-0.991	1.290
H6	-0.770	-0.991	-1.290
H7	0.953	-0.695	1.474
H8	-0.205	0.456	2.142
H9	0.953	-0.695	-1.474
H10	-0.205	0.456	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4929	1.4929	1.0820	2.1444	2.1444	2.1552	2.1525	2.1552	2.1525
C2	1.4929		2.5858	2.2274	1.0945	2.8052	1.0999	1.0908	2.9718	3.5025
C3	1.4929	2.5858		2.2274	2.8052	1.0945	2.9718	3.5025	1.0999	1.0908
H4	1.0820	2.2274	2.2274		3.0663	3.0663	2.8069	2.4694	2.8069	2.4694
H5	2.1444	1.0945	2.8052	3.0663		2.5800	1.7579	1.7716	3.2703	3.7672
H6	2.1444	2.8052	1.0945	3.0663	2.5800		3.2703	3.7672	1.7579	1.7716
H7	2.1552	1.0999	2.9718	2.8069	1.7579	3.2703		1.7647	2.9476	3.9676
H8	2.1525	1.0908	3.5025	2.4694	1.7716	3.7672	1.7647		3.9676	4.2841
H9	2.1552	2.9718	1.0999	2.8069	3.2703	1.7579	2.9476	3.9676		1.7647
H10	2.1525	3.5025	1.0908	2.4694	3.7672	1.7716	3.9676	4.2841	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.012	C1	C2	H7	111.549
C1	C2	H8	111.905	C1	C3	H6	111.012
C1	C3	H9	111.549	C1	C3	H10	111.905
C2	C1	C3	120.002	C2	C1	H4	118.909
C3	C1	H4	118.909	H5	C2	H7	106.469
H5	C2	H8	108.331	H6	C3	H9	106.469
H6	C3	H10	108.331	H7	C2	H8	107.329
H9	C3	H10	107.329

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

using model chemistry: MP4/Def2TZVPP

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: MP4/Def2TZVPP

States and conformations

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