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	hartrees
Energy at 0K	-118.105052
Energy at 298.15K	-118.111325
HF Energy	-117.656687
Nuclear repulsion energy	75.484239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3061	28.28
2	A'	3168	3000	18.28
3	A'	3109	2944	46.71
4	A'	3027	2867	34.47
5	A'	1539	1457	6.75
6	A'	1527	1446	20.54
7	A'	1456	1379	6.95
8	A'	1212	1148	2.99
9	A'	1066	1010	0.15
10	A'	913	865	2.08
11	A'	423	401	20.77
12	A'	359	340	10.26
13	A'	158	150	0.37
14	A"	3169	3001	20.46
15	A"	3109	2945	4.82
16	A"	3025	2865	25.19
17	A"	1527	1446	1.57
18	A"	1514	1434	2.28
19	A"	1459	1382	13.05
20	A"	1405	1330	0.63
21	A"	1184	1122	0.07
22	A"	967	916	0.88
23	A"	959	909	0.61
24	A"	123	117	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.546	0.000
C2	-0.014	-0.200	1.292
C3	-0.014	-0.200	-1.292
H4	0.302	1.583	0.000
H5	-0.782	-0.980	1.298
H6	-0.782	-0.980	-1.298
H7	0.947	-0.707	1.468
H8	-0.193	0.459	2.143
H9	0.947	-0.707	-1.468
H10	-0.193	0.459	-2.143

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4917	1.4917	1.0846	2.1449	2.1449	2.1559	2.1522	2.1559	2.1522
C2	1.4917		2.5838	2.2247	1.0947	2.8113	1.1003	1.0916	2.9660	3.5022
C3	1.4917	2.5838		2.2247	2.8113	1.0947	2.9660	3.5022	1.1003	1.0916
H4	1.0846	2.2247	2.2247		3.0705	3.0705	2.7959	2.4699	2.7959	2.4699
H5	2.1449	1.0947	2.8113	3.0705		2.5950	1.7588	1.7701	3.2730	3.7756
H6	2.1449	2.8113	1.0947	3.0705	2.5950		3.2730	3.7756	1.7588	1.7701
H7	2.1559	1.1003	2.9660	2.7959	1.7588	3.2730		1.7651	2.9363	3.9623
H8	2.1522	1.0916	3.5022	2.4699	1.7701	3.7756	1.7651		3.9623	4.2860
H9	2.1559	2.9660	1.1003	2.7959	3.2730	1.7588	2.9363	3.9623		1.7651
H10	2.1522	3.5022	1.0916	2.4699	3.7756	1.7701	3.9623	4.2860	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.124	C1	C2	H7	111.663
C1	C2	H8	111.905	C1	C3	H6	111.124
C1	C3	H9	111.663	C1	C3	H10	111.905
C2	C1	C3	120.003	C2	C1	H4	118.573
C3	C1	H4	118.573	H5	C2	H7	106.499
H5	C2	H8	108.120	H6	C3	H9	106.499
H6	C3	H10	108.120	H7	C2	H8	107.271
H9	C3	H10	107.271

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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