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	hartrees
Energy at 0K	-118.074974
Energy at 298.15K	-118.081230
HF Energy	-117.635265
Nuclear repulsion energy	75.177768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3183	3090
2	A'	3120	3029
3	A'	3065	2975
4	A'	2987	2900
5	A'	1539	1494
6	A'	1527	1482
7	A'	1461	1418
8	A'	1211	1175
9	A'	1072	1040
10	A'	904	878
11	A'	431	418
12	A'	361	351
13	A'	151	146
14	A"	3121	3029
15	A"	3064	2974
16	A"	2983	2896
17	A"	1529	1484
18	A"	1517	1472
19	A"	1461	1418
20	A"	1408	1367
21	A"	1177	1142
22	A"	972	943
23	A"	959	931
24	A"	126	122

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.544	0.000
C2	-0.013	-0.200	1.298
C3	-0.013	-0.200	-1.298
H4	0.295	1.590	0.000
H5	-0.765	-1.004	1.292
H6	-0.765	-1.004	-1.292
H7	0.962	-0.682	1.497
H8	-0.228	0.463	2.146
H9	0.962	-0.682	-1.497
H10	-0.228	0.463	-2.146

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4959	1.4959	1.0904	2.1517	2.1517	2.1671	2.1579	2.1671	2.1579
C2	1.4959		2.5955	2.2322	1.1005	2.8141	1.1061	1.0975	2.9993	3.5132
C3	1.4959	2.5955		2.2322	2.8141	1.1005	2.9993	3.5132	1.1061	1.0975
H4	1.0904	2.2322	2.2322		3.0853	3.0853	2.8015	2.4793	2.8015	2.4793
H5	2.1517	1.1005	2.8141	3.0853		2.5844	1.7691	1.7797	3.2968	3.7759
H6	2.1517	2.8141	1.1005	3.0853	2.5844		3.2968	3.7759	1.7691	1.7797
H7	2.1671	1.1061	2.9993	2.8015	1.7691	3.2968		1.7740	2.9947	3.9998
H8	2.1579	1.0975	3.5132	2.4793	1.7797	3.7759	1.7740		3.9998	4.2912
H9	2.1671	2.9993	1.1061	2.8015	3.2968	1.7691	2.9947	3.9998		1.7740
H10	2.1579	3.5132	1.0975	2.4793	3.7759	1.7797	3.9998	4.2912	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.019	C1	C2	H7	111.917
C1	C2	H8	111.702	C1	C3	H6	111.019
C1	C3	H9	111.917	C1	C3	H10	111.702
C2	C1	C3	120.350	C2	C1	H4	118.494
C3	C1	H4	118.494	H5	C2	H7	106.591
H5	C2	H8	108.129	H6	C3	H9	106.591
H6	C3	H10	108.129	H7	C2	H8	107.235
H9	C3	H10	107.235

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/6-31G*

States and conformations

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