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	hartrees
Energy at 0K	-118.140884
Energy at 298.15K	-118.146999
HF Energy	-117.648225
Nuclear repulsion energy	74.686051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3168	3098
2	A'	3094	3025
3	A'	3029	2962
4	A'	2952	2886
5	A'	1467	1435
6	A'	1460	1427
7	A'	1389	1358
8	A'	1167	1141
9	A'	1014	992
10	A'	886	866
11	A'	394	385
12	A'	333	325
13	A'	141	137
14	A"	3094	3026
15	A"	3029	2962
16	A"	2949	2883
17	A"	1457	1425
18	A"	1448	1416
19	A"	1403	1372
20	A"	1347	1317
21	A"	1146	1120
22	A"	924	904
23	A"	920	900
24	A"	105	103

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.551	0.000
C2	-0.013	-0.203	1.304
C3	-0.013	-0.203	-1.304
H4	0.279	1.609	0.000
H5	-0.789	-0.994	1.306
H6	-0.789	-0.994	-1.306
H7	0.961	-0.713	1.482
H8	-0.197	0.466	2.165
H9	0.961	-0.713	-1.482
H10	-0.197	0.466	-2.165

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5064	1.5064	1.0975	2.1672	2.1672	2.1779	2.1740	2.1779	2.1740
C2	1.5064		2.6089	2.2513	1.1085	2.8365	1.1140	1.1046	2.9958	3.5375
C3	1.5064	2.6089		2.2513	2.8365	1.1085	2.9958	3.5375	1.1140	1.1046
H4	1.0975	2.2513	2.2513		3.1022	3.1022	2.8379	2.4937	2.8379	2.4937
H5	2.1672	1.1085	2.8365	3.1022		2.6130	1.7811	1.7939	3.3043	3.8118
H6	2.1672	2.8365	1.1085	3.1022	2.6130		3.3043	3.8118	1.7811	1.7939
H7	2.1779	1.1140	2.9958	2.8379	1.7811	3.3043		1.7875	2.9646	4.0036
H8	2.1740	1.1046	3.5375	2.4937	1.7939	3.8118	1.7875		4.0036	4.3291
H9	2.1779	2.9958	1.1140	2.8379	3.3043	1.7811	2.9646	4.0036		1.7875
H10	2.1740	3.5375	1.1046	2.4937	3.8118	1.7939	4.0036	4.3291	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.035	C1	C2	H7	111.550
C1	C2	H8	111.817	C1	C3	H6	111.035
C1	C3	H9	111.550	C1	C3	H10	111.817
C2	C1	C3	119.971	C2	C1	H4	118.832
C3	C1	H4	118.832	H5	C2	H7	106.532
H5	C2	H8	108.310	H6	C3	H9	106.532
H6	C3	H10	108.310	H7	C2	H8	107.358
H9	C3	H10	107.358

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

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