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	hartrees
Energy at 0K	-118.096525
Energy at 298.15K	-118.102735
HF Energy	-117.656327
Nuclear repulsion energy	75.139539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3037	33.39
2	A'	3108	2975	21.99
3	A'	3050	2920	55.88
4	A'	2975	2849	47.26
5	A'	1527	1462	5.64
6	A'	1514	1450	17.28
7	A'	1452	1390	5.21
8	A'	1204	1153	2.43
9	A'	1060	1015	0.11
10	A'	900	862	1.91
11	A'	409	391	16.84
12	A'	351	336	12.25
13	A'	147	140	0.47
14	A"	3108	2976	27.55
15	A"	3049	2919	6.41
16	A"	2972	2845	24.77
17	A"	1515	1451	1.38
18	A"	1502	1438	1.73
19	A"	1453	1391	9.84
20	A"	1396	1337	1.32
21	A"	1168	1118	0.01
22	A"	965	924	0.68
23	A"	954	913	0.41
24	A"	116	111	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.545	0.000
C2	-0.013	-0.201	1.300
C3	-0.013	-0.201	-1.300
H4	0.279	1.594	0.000
H5	-0.783	-0.985	1.308
H6	-0.783	-0.985	-1.308
H7	0.952	-0.707	1.481
H8	-0.196	0.465	2.150
H9	0.952	-0.707	-1.481
H10	-0.196	0.465	-2.150

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4984	1.4984	1.0890	2.1547	2.1547	2.1661	2.1597	2.1661	2.1597
C2	1.4984		2.5993	2.2352	1.0991	2.8294	1.1045	1.0956	2.9865	3.5185
C3	1.4984	2.5993		2.2352	2.8294	1.0991	2.9865	3.5185	1.1045	1.0956
H4	1.0890	2.2352	2.2352		3.0801	3.0801	2.8186	2.4748	2.8186	2.4748
H5	2.1547	1.0991	2.8294	3.0801		2.6152	1.7654	1.7766	3.2959	3.7952
H6	2.1547	2.8294	1.0991	3.0801	2.6152		3.2959	3.7952	1.7654	1.7766
H7	2.1661	1.1045	2.9865	2.8186	1.7654	3.2959		1.7719	2.9621	3.9848
H8	2.1597	1.0956	3.5185	2.4748	1.7766	3.7952	1.7719		3.9848	4.3008
H9	2.1661	2.9865	1.1045	2.8186	3.2959	1.7654	2.9621	3.9848		1.7719
H10	2.1597	3.5185	1.0956	2.4748	3.7952	1.7766	3.9848	4.3008	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.171	C1	C2	H7	111.761
C1	C2	H8	111.786	C1	C3	H6	111.171
C1	C3	H9	111.761	C1	C3	H10	111.786
C2	C1	C3	120.312	C2	C1	H4	118.653
C3	C1	H4	118.653	H5	C2	H7	106.485
H5	C2	H8	108.095	H6	C3	H9	106.485
H6	C3	H10	108.095	H7	C2	H8	107.286
H9	C3	H10	107.286

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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