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	hartrees
Energy at 0K	-118.145034
Energy at 298.15K	-118.151343
HF Energy	-117.652539
Nuclear repulsion energy	75.765891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3077	17.69
2	A'	3206	3013	12.39
3	A'	3151	2962	28.78
4	A'	3067	2882	19.80
5	A'	1539	1446	4.35
6	A'	1530	1438	12.69
7	A'	1444	1357	4.21
8	A'	1207	1134	3.46
9	A'	1061	997	0.21
10	A'	918	863	1.71
11	A'	438	411	17.67
12	A'	358	337	5.56
13	A'	158	149	0.06
14	A"	3206	3014	12.43
15	A"	3152	2963	3.69
16	A"	3065	2881	18.77
17	A"	1528	1436	0.40
18	A"	1518	1426	1.07
19	A"	1447	1360	8.93
20	A"	1395	1311	2.37
21	A"	1188	1117	0.06
22	A"	961	904	1.02
23	A"	956	898	0.46
24	A"	137	128	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.547	0.000
C2	-0.015	-0.200	1.285
C3	-0.015	-0.200	-1.285
H4	0.323	1.573	0.000
H5	-0.767	-0.990	1.282
H6	-0.767	-0.990	-1.282
H7	0.949	-0.689	1.469
H8	-0.211	0.450	2.136
H9	0.949	-0.689	-1.469
H10	-0.211	0.450	-2.136

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4865	1.4865	1.0804	2.1380	2.1380	2.1479	2.1472	2.1479	2.1472
C2	1.4865		2.5708	2.2157	1.0910	2.7892	1.0965	1.0884	2.9587	3.4881
C3	1.4865	2.5708		2.2157	2.7892	1.0910	2.9587	3.4881	1.0965	1.0884
H4	1.0804	2.2157	2.2157		3.0662	3.0662	2.7685	2.4716	2.7685	2.4716
H5	2.1380	1.0910	2.7892	3.0662		2.5632	1.7524	1.7647	3.2558	3.7502
H6	2.1380	2.7892	1.0910	3.0662	2.5632		3.2558	3.7502	1.7524	1.7647
H7	2.1479	1.0965	2.9587	2.7685	1.7524	3.2558		1.7576	2.9375	3.9546
H8	2.1472	1.0884	3.4881	2.4716	1.7647	3.7502	1.7576		3.9546	4.2721
H9	2.1479	2.9587	1.0965	2.7685	3.2558	1.7524	2.9375	3.9546		1.7576
H10	2.1472	3.4881	1.0884	2.4716	3.7502	1.7647	3.9546	4.2721	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.162	C1	C2	H7	111.625
C1	C2	H8	112.074	C1	C3	H6	111.162
C1	C3	H9	111.625	C1	C3	H10	112.074
C2	C1	C3	119.696	C2	C1	H4	118.495
C3	C1	H4	118.495	H5	C2	H7	106.466
H5	C2	H8	108.133	H6	C3	H9	106.466
H6	C3	H10	108.133	H7	C2	H8	107.107
H9	C3	H10	107.107

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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