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	hartrees
Energy at 0K	-118.169892
Energy at 298.15K	-118.176083
HF Energy	-117.676266
Nuclear repulsion energy	75.340884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3187	3067
2	A'	3116	2999
3	A'	3059	2944
4	A'	2977	2866
5	A'	1506	1450
6	A'	1488	1433
7	A'	1433	1379
8	A'	1194	1150
9	A'	1056	1016
10	A'	890	856
11	A'	432	415
12	A'	358	344
13	A'	157	151
14	A"	3117	3000
15	A"	3058	2943
16	A"	2974	2863
17	A"	1495	1439
18	A"	1477	1422
19	A"	1432	1378
20	A"	1383	1332
21	A"	1155	1111
22	A"	948	913
23	A"	944	909
24	A"	82	79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.547	0.000
C2	-0.014	-0.201	1.295
C3	-0.014	-0.201	-1.295
H4	0.309	1.583	0.000
H5	-0.767	-0.998	1.288
H6	-0.767	-0.998	-1.288
H7	0.958	-0.686	1.484
H8	-0.220	0.458	2.143
H9	0.958	-0.686	-1.484
H10	-0.220	0.458	-2.143

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4954	1.4954	1.0854	2.1474	2.1474	2.1595	2.1548	2.1595	2.1548
C2	1.4954		2.5905	2.2279	1.0962	2.8065	1.1022	1.0930	2.9834	3.5069
C3	1.4954	2.5905		2.2279	2.8065	1.0962	2.9834	3.5069	1.1022	1.0930
H4	1.0854	2.2279	2.2279		3.0783	3.0783	2.7872	2.4776	2.7872	2.4776
H5	2.1474	1.0962	2.8065	3.0783		2.5766	1.7633	1.7741	3.2794	3.7672
H6	2.1474	2.8065	1.0962	3.0783	2.5766		3.2794	3.7672	1.7633	1.7741
H7	2.1595	1.1022	2.9834	2.7872	1.7633	3.2794		1.7688	2.9670	3.9807
H8	2.1548	1.0930	3.5069	2.4776	1.7741	3.7672	1.7688		3.9807	4.2862
H9	2.1595	2.9834	1.1022	2.7872	3.2794	1.7633	2.9670	3.9807		1.7688
H10	2.1548	3.5069	1.0930	2.4776	3.7672	1.7741	3.9807	4.2862	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.969	C1	C2	H7	111.577
C1	C2	H8	111.766	C1	C3	H6	110.969
C1	C3	H9	111.577	C1	C3	H10	111.766
C2	C1	C3	120.030	C2	C1	H4	118.501
C3	C1	H4	118.501	H5	C2	H7	106.659
H5	C2	H8	108.272	H6	C3	H9	106.659
H6	C3	H10	108.272	H7	C2	H8	107.368
H9	C3	H10	107.368

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

using model chemistry: CCSD(T)/TZVP

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)/TZVP

States and conformations

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