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	hartrees
Energy at 0K	-118.173355
Energy at 298.15K	-118.179589
HF Energy	-117.676733
Nuclear repulsion energy	75.732548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3052	18.51
2	A'	3161	2982	13.47
3	A'	3097	2922	32.87
4	A'	3018	2848	30.33
5	A'	1513	1427	5.78
6	A'	1503	1418	15.19
7	A'	1424	1343	4.27
8	A'	1192	1125	2.17
9	A'	1041	982	0.03
10	A'	907	856	1.72
11	A'	409	386	16.99
12	A'	349	329	11.27
13	A'	152	144	0.49
14	A"	3162	2983	17.95
15	A"	3098	2923	3.99
16	A"	3017	2846	23.11
17	A"	1500	1415	0.80
18	A"	1491	1407	1.00
19	A"	1429	1348	9.66
20	A"	1378	1300	1.74
21	A"	1169	1103	0.08
22	A"	949	895	0.91
23	A"	942	889	0.02
24	A"	126	119	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.547	0.000
C2	-0.013	-0.200	1.286
C3	-0.013	-0.200	-1.286
H4	0.280	1.587	0.000
H5	-0.784	-0.973	1.291
H6	-0.784	-0.973	-1.291
H7	0.942	-0.715	1.451
H8	-0.180	0.453	2.140
H9	0.942	-0.715	-1.451
H10	-0.180	0.453	-2.140

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4873	1.4873	1.0805	2.1384	2.1384	2.1471	2.1484	2.1471	2.1484
C2	1.4873		2.5719	2.2212	1.0918	2.7989	1.0972	1.0881	2.9442	3.4915
C3	1.4873	2.5719		2.2212	2.7989	1.0918	2.9442	3.4915	1.0972	1.0881
H4	1.0805	2.2212	2.2212		3.0585	3.0585	2.8003	2.4650	2.8003	2.4650
H5	2.1384	1.0918	2.7989	3.0585		2.5824	1.7526	1.7663	3.2506	3.7645
H6	2.1384	2.7989	1.0918	3.0585	2.5824		3.2506	3.7645	1.7526	1.7663
H7	2.1471	1.0972	2.9442	2.8003	1.7526	3.2506		1.7598	2.9023	3.9392
H8	2.1484	1.0881	3.4915	2.4650	1.7663	3.7645	1.7598		3.9392	4.2796
H9	2.1471	2.9442	1.0972	2.8003	3.2506	1.7526	2.9023	3.9392		1.7598
H10	2.1484	3.4915	1.0881	2.4650	3.7645	1.7663	3.9392	4.2796	1.7598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.090	C1	C2	H7	111.458
C1	C2	H8	112.132	C1	C3	H6	111.090
C1	C3	H9	111.458	C1	C3	H10	112.132
C2	C1	C3	119.674	C2	C1	H4	118.919
C3	C1	H4	118.919	H5	C2	H7	106.381
H5	C2	H8	108.238	H6	C3	H9	106.381
H6	C3	H10	108.238	H7	C2	H8	107.276
H9	C3	H10	107.276

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

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

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