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	hartrees
Energy at 0K	-118.244620
Energy at 298.15K	-118.250793
HF Energy	-117.679523
Nuclear repulsion energy	75.461516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3200	3101
2	A'	3115	3019
3	A'	3054	2960
4	A'	2979	2887
5	A'	1498	1452
6	A'	1489	1443
7	A'	1412	1369
8	A'	1184	1148
9	A'	1038	1006
10	A'	893	866
11	A'	409	397
12	A'	347	336
13	A'	142	138
14	A"	3115	3019
15	A"	3055	2961
16	A"	2977	2885
17	A"	1488	1442
18	A"	1478	1432
19	A"	1420	1376
20	A"	1369	1327
21	A"	1156	1120
22	A"	944	915
23	A"	935	906
24	A"	106	103

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.546	0.000
C2	-0.013	-0.201	1.293
C3	-0.013	-0.201	-1.293
H4	0.272	1.590	0.000
H5	-0.766	-0.994	1.289
H6	-0.766	-0.994	-1.289
H7	0.955	-0.691	1.478
H8	-0.211	0.455	2.142
H9	0.955	-0.691	-1.478
H10	-0.211	0.455	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4930	1.4930	1.0823	2.1451	2.1451	2.1563	2.1531	2.1563	2.1531
C2	1.4930		2.5859	2.2270	1.0946	2.8042	1.1001	1.0910	2.9757	3.5026
C3	1.4930	2.5859		2.2270	2.8042	1.0946	2.9757	3.5026	1.1001	1.0910
H4	1.0823	2.2270	2.2270		3.0688	3.0688	2.8025	2.4719	2.8025	2.4719
H5	2.1451	1.0946	2.8042	3.0688		2.5777	1.7581	1.7708	3.2728	3.7654
H6	2.1451	2.8042	1.0946	3.0688	2.5777		3.2728	3.7654	1.7581	1.7708
H7	2.1563	1.1001	2.9757	2.8025	1.7581	3.2728		1.7644	2.9563	3.9721
H8	2.1531	1.0910	3.5026	2.4719	1.7708	3.7654	1.7644		3.9721	4.2839
H9	2.1563	2.9757	1.1001	2.8025	3.2728	1.7581	2.9563	3.9721		1.7644
H10	2.1531	3.5026	1.0910	2.4719	3.7654	1.7708	3.9721	4.2839	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.055	C1	C2	H7	111.626
C1	C2	H8	111.929	C1	C3	H6	111.055
C1	C3	H9	111.626	C1	C3	H10	111.929
C2	C1	C3	119.994	C2	C1	H4	118.848
C3	C1	H4	118.848	H5	C2	H7	106.468
H5	C2	H8	108.236	H6	C3	H9	106.468
H6	C3	H10	108.236	H7	C2	H8	107.273
H9	C3	H10	107.273

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

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

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