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	hartrees
Energy at 0K	-117.627385
Energy at 298.15K	-117.633613
HF Energy	-117.540581
Nuclear repulsion energy	75.108713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3059	25.31
2	A'	3132	2981	16.27
3	A'	3076	2928	41.98
4	A'	3002	2858	37.47
5	A'	1583	1507	5.51
6	A'	1573	1497	14.96
7	A'	1488	1416	5.51
8	A'	1229	1170	6.09
9	A'	1090	1038	1.64
10	A'	871	829	1.40
11	A'	406	387	13.16
12	A'	354	337	17.80
13	A'	132	125	0.32
14	A"	3132	2982	24.02
15	A"	3074	2926	5.69
16	A"	2999	2855	15.54
17	A"	1571	1496	1.81
18	A"	1560	1485	0.60
19	A"	1472	1401	4.51
20	A"	1416	1348	8.59
21	A"	1138	1084	0.63
22	A"	1002	954	1.16
23	A"	990	942	0.75
24	A"	127	121	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.549	0.000
C2	-0.012	-0.203	1.302
C3	-0.012	-0.203	-1.302
H4	0.258	1.598	0.000
H5	-0.765	-1.000	1.291
H6	-0.765	-1.000	-1.291
H7	0.961	-0.686	1.491
H8	-0.221	0.458	2.148
H9	0.961	-0.686	-1.491
H10	-0.221	0.458	-2.148

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5030	1.5030	1.0838	2.1519	2.1519	2.1663	2.1596	2.1663	2.1596
C2	1.5030		2.6033	2.2385	1.0968	2.8147	1.1023	1.0934	2.9963	3.5181
C3	1.5030	2.6033		2.2385	2.8147	1.0968	2.9963	3.5181	1.1023	1.0934
H4	1.0838	2.2385	2.2385		3.0760	3.0760	2.8170	2.4784	2.8170	2.4784
H5	2.1519	1.0968	2.8147	3.0760		2.5813	1.7658	1.7761	3.2887	3.7738
H6	2.1519	2.8147	1.0968	3.0760	2.5813		3.2887	3.7738	1.7658	1.7761
H7	2.1663	1.1023	2.9963	2.8170	1.7658	3.2887		1.7707	2.9819	3.9929
H8	2.1596	1.0934	3.5181	2.4784	1.7761	3.7738	1.7707		3.9929	4.2952
H9	2.1663	2.9963	1.1023	2.8170	3.2887	1.7658	2.9819	3.9929		1.7707
H10	2.1596	3.5181	1.0934	2.4784	3.7738	1.7761	3.9929	4.2952	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.765	C1	C2	H7	111.585
C1	C2	H8	111.595	C1	C3	H6	110.765
C1	C3	H9	111.585	C1	C3	H10	111.595
C2	C1	C3	120.006	C2	C1	H4	118.964
C3	C1	H4	118.964	H5	C2	H7	106.829
H5	C2	H8	108.370	H6	C3	H9	106.829
H6	C3	H10	108.370	H7	C2	H8	107.494
H9	C3	H10	107.494

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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