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	hartrees
Energy at 0K	-118.150506
Energy at 298.15K	-118.156799
HF Energy	-117.676938
Nuclear repulsion energy	75.785755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3026	22.90
2	A'	3200	2957	18.95
3	A'	3145	2906	41.88
4	A'	3074	2841	37.89
5	A'	1554	1436	5.50
6	A'	1546	1429	13.96
7	A'	1476	1364	3.41
8	A'	1228	1134	2.15
9	A'	1078	996	0.13
10	A'	918	848	1.69
11	A'	422	390	17.49
12	A'	357	330	9.23
13	A'	154	142	0.26
14	A"	3200	2957	23.14
15	A"	3144	2905	5.11
16	A"	3071	2837	23.65
17	A"	1543	1426	0.77
18	A"	1535	1418	0.97
19	A"	1479	1367	7.32
20	A"	1420	1312	2.74
21	A"	1187	1096	0.00
22	A"	981	907	0.60
23	A"	971	897	0.15
24	A"	125	116	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.544	0.000
C2	-0.013	-0.200	1.290
C3	-0.013	-0.200	-1.290
H4	0.289	1.577	0.000
H5	-0.776	-0.974	1.295
H6	-0.776	-0.974	-1.295
H7	0.942	-0.701	1.463
H8	-0.191	0.456	2.134
H9	0.942	-0.701	-1.463
H10	-0.191	0.456	-2.134

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4888	1.4888	1.0764	2.1366	2.1366	2.1450	2.1431	2.1450	2.1431
C2	1.4888		2.5792	2.2165	1.0871	2.8041	1.0921	1.0839	2.9559	3.4903
C3	1.4888	2.5792		2.2165	2.8041	1.0871	2.9559	3.4903	1.0921	1.0839
H4	1.0764	2.2165	2.2165		3.0532	3.0532	2.7849	2.4578	2.7849	2.4578
H5	2.1366	1.0871	2.8041	3.0532		2.5905	1.7477	1.7582	3.2607	3.7612
H6	2.1366	2.8041	1.0871	3.0532	2.5905		3.2607	3.7612	1.7477	1.7582
H7	2.1450	1.0921	2.9559	2.7849	1.7477	3.2607		1.7530	2.9252	3.9442
H8	2.1431	1.0839	3.4903	2.4578	1.7582	3.7612	1.7530		3.9442	4.2677
H9	2.1450	2.9559	1.0921	2.7849	3.2607	1.7477	2.9252	3.9442		1.7530
H10	2.1431	3.4903	1.0839	2.4578	3.7612	1.7582	3.9442	4.2677	1.7530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.125	C1	C2	H7	111.496
C1	C2	H8	111.852	C1	C3	H6	111.125
C1	C3	H9	111.496	C1	C3	H10	111.852
C2	C1	C3	120.035	C2	C1	H4	118.664
C3	C1	H4	118.664	H5	C2	H7	106.638
H5	C2	H8	108.155	H6	C3	H9	106.638
H6	C3	H10	108.155	H7	C2	H8	107.333
H9	C3	H10	107.333

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

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

States and conformations

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