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	hartrees
Energy at 0K	-118.336643
Energy at 298.15K	-118.342882
HF Energy	-118.196777
Nuclear repulsion energy	75.458505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3224	30.90
2	A'	3153	3153	22.37
3	A'	3094	3094	50.72
4	A'	3013	3013	43.00
5	A'	1531	1531	3.16
6	A'	1520	1520	10.61
7	A'	1450	1450	2.56
8	A'	1204	1204	2.71
9	A'	1059	1059	0.12
10	A'	902	902	1.55
11	A'	424	424	16.41
12	A'	364	364	6.35
13	A'	142	142	0.11
14	A"	3154	3154	24.62
15	A"	3093	3093	7.03
16	A"	3008	3008	25.43
17	A"	1520	1520	0.37
18	A"	1509	1509	1.01
19	A"	1450	1450	5.81
20	A"	1399	1399	4.50
21	A"	1172	1172	0.03
22	A"	962	962	1.23
23	A"	955	955	0.18
24	A"	124	124	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.538	0.000
C2	-0.013	-0.198	1.296
C3	-0.013	-0.198	-1.296
H4	0.272	1.584	0.000
H5	-0.745	-1.011	1.290
H6	-0.745	-1.011	-1.290
H7	0.963	-0.663	1.506
H8	-0.241	0.458	2.137
H9	0.963	-0.663	-1.506
H10	-0.241	0.458	-2.137

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4907	1.4907	1.0837	2.1456	2.1456	2.1593	2.1507	2.1593	2.1507
C2	1.4907		2.5916	2.2221	1.0943	2.8082	1.1004	1.0912	3.0027	3.5025
C3	1.4907	2.5916		2.2221	2.8082	1.0943	3.0027	3.5025	1.1004	1.0912
H4	1.0837	2.2221	2.2221		3.0718	3.0718	2.7918	2.4694	2.7918	2.4694
H5	2.1456	1.0943	2.8082	3.0718		2.5809	1.7562	1.7692	3.2951	3.7631
H6	2.1456	2.8082	1.0943	3.0718	2.5809		3.2951	3.7631	1.7562	1.7692
H7	2.1593	1.1004	3.0027	2.7918	1.7562	3.2951		1.7615	3.0119	3.9970
H8	2.1507	1.0912	3.5025	2.4694	1.7692	3.7631	1.7615		3.9970	4.2741
H9	2.1593	3.0027	1.1004	2.7918	3.2951	1.7562	3.0119	3.9970		1.7615
H10	2.1507	3.5025	1.0912	2.4694	3.7631	1.7692	3.9970	4.2741	1.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.278	C1	C2	H7	112.009
C1	C2	H8	111.887	C1	C3	H6	111.278
C1	C3	H9	112.009	C1	C3	H10	111.887
C2	C1	C3	120.746	C2	C1	H4	118.488
C3	C1	H4	118.488	H5	C2	H7	106.301
H5	C2	H8	108.096	H6	C3	H9	106.301
H6	C3	H10	108.096	H7	C2	H8	106.979
H9	C3	H10	106.979

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

using model chemistry: B2PLYP=FULL/6-31G**

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/6-31G**

States and conformations

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