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	hartrees
Energy at 0K	-20.669276
Energy at 298.15K	-20.675502
HF Energy	-20.442942
Nuclear repulsion energy	43.355398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3076	80.86
2	A'	3128	3023	42.76
3	A'	3081	2977	107.60
4	A'	2993	2892	47.51
5	A'	1529	1478	7.18
6	A'	1508	1457	17.95
7	A'	1461	1412	5.12
8	A'	1211	1170	5.17
9	A'	1069	1033	0.20
10	A'	881	852	1.41
11	A'	443	428	42.02
12	A'	351	339	6.87
13	A'	152	147	0.14
14	A"	3128	3023	37.63
15	A"	3079	2975	8.30
16	A"	2991	2890	46.94
17	A"	1520	1469	1.13
18	A"	1500	1449	1.30
19	A"	1453	1404	10.37
20	A"	1397	1350	5.72
21	A"	1160	1121	0.13
22	A"	976	943	0.61
23	A"	955	923	1.69
24	A"	108	105	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.563	0.000
C2	-0.014	-0.208	1.335
C3	-0.014	-0.208	-1.335
H4	0.334	1.611	0.000
H5	-0.778	-1.017	1.319
H6	-0.778	-1.017	-1.319
H7	0.973	-0.694	1.533
H8	-0.235	0.466	2.189
H9	0.973	-0.694	-1.533
H10	-0.235	0.466	-2.189

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5413	1.5413	1.1043	2.1956	2.1956	2.2144	2.2023	2.2144	2.2023
C2	1.5413		2.6693	2.2827	1.1129	2.8780	1.1182	1.1107	3.0716	3.5945
C3	1.5413	2.6693		2.2827	2.8780	1.1129	3.0716	3.5945	1.1182	1.1107
H4	1.1043	2.2827	2.2827		3.1438	3.1438	2.8403	2.5347	2.8403	2.5347
H5	2.1956	1.1129	2.8780	3.1438		2.6390	1.7943	1.8035	3.3632	3.8479
H6	2.1956	2.8780	1.1129	3.1438	2.6390		3.3632	3.8479	1.7943	1.8035
H7	2.2144	1.1182	3.0716	2.8403	1.7943	3.3632		1.7986	3.0661	4.0816
H8	2.2023	1.1107	3.5945	2.5347	1.8035	3.8479	1.7986		4.0816	4.3782
H9	2.2144	3.0716	1.1182	2.8403	3.3632	1.7943	3.0661	4.0816		1.7986
H10	2.2023	3.5945	1.1107	2.5347	3.8479	1.8035	4.0816	4.3782	1.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.593	C1	C2	H7	111.761
C1	C2	H8	111.247	C1	C3	H6	110.593
C1	C3	H9	111.761	C1	C3	H10	111.247
C2	C1	C3	119.978	C2	C1	H4	118.335
C3	C1	H4	118.335	H5	C2	H7	107.070
H5	C2	H8	108.395	H6	C3	H9	107.070
H6	C3	H10	108.395	H7	C2	H8	107.599
H9	C3	H10	107.599

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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