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	hartrees
Energy at 0K	-118.159193
Energy at 298.15K	-118.165482
HF Energy	-117.679820
Nuclear repulsion energy	75.813608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3040	24.16
2	A'	3201	2966	20.31
3	A'	3147	2916	45.76
4	A'	3076	2850	38.63
5	A'	1551	1437	4.61
6	A'	1543	1429	13.21
7	A'	1471	1363	3.55
8	A'	1228	1138	2.14
9	A'	1080	1000	0.14
10	A'	918	851	1.72
11	A'	427	396	17.65
12	A'	359	333	6.95
13	A'	152	141	0.17
14	A"	3202	2966	23.26
15	A"	3146	2915	5.15
16	A"	3073	2847	24.08
17	A"	1541	1428	0.48
18	A"	1532	1419	1.14
19	A"	1478	1369	7.73
20	A"	1420	1316	2.40
21	A"	1189	1101	0.00
22	A"	982	910	0.61
23	A"	971	900	0.18
24	A"	118	109	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.543	0.000
C2	-0.013	-0.200	1.290
C3	-0.013	-0.200	-1.290
H4	0.287	1.575	0.000
H5	-0.766	-0.984	1.290
H6	-0.766	-0.984	-1.290
H7	0.946	-0.688	1.472
H8	-0.207	0.455	2.131
H9	0.946	-0.688	-1.472
H10	-0.207	0.455	-2.131

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4882	1.4882	1.0752	2.1355	2.1355	2.1449	2.1418	2.1449	2.1418
C2	1.4882		2.5796	2.2145	1.0865	2.7994	1.0916	1.0834	2.9640	3.4884
C3	1.4882	2.5796		2.2145	2.7994	1.0865	2.9640	3.4884	1.0916	1.0834
H4	1.0752	2.2145	2.2145		3.0528	3.0528	2.7787	2.4580	2.7787	2.4580
H5	2.1355	1.0865	2.7994	3.0528		2.5804	1.7467	1.7573	3.2630	3.7533
H6	2.1355	2.7994	1.0865	3.0528	2.5804		3.2630	3.7533	1.7467	1.7573
H7	2.1449	1.0916	2.9640	2.7787	1.7467	3.2630		1.7519	2.9438	3.9518
H8	2.1418	1.0834	3.4884	2.4580	1.7573	3.7533	1.7519		3.9518	4.2625
H9	2.1449	2.9640	1.0916	2.7787	3.2630	1.7467	2.9438	3.9518		1.7519
H10	2.1418	3.4884	1.0834	2.4580	3.7533	1.7573	3.9518	4.2625	1.7519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.112	C1	C2	H7	111.570
C1	C2	H8	111.822	C1	C3	H6	111.112
C1	C3	H9	111.570	C1	C3	H10	111.822
C2	C1	C3	120.145	C2	C1	H4	118.623
C3	C1	H4	118.623	H5	C2	H7	106.628
H5	C2	H8	108.157	H6	C3	H9	106.628
H6	C3	H10	108.157	H7	C2	H8	107.309
H9	C3	H10	107.309

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

using model chemistry: CID/cc-pVTZ

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/cc-pVTZ

States and conformations

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