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	hartrees
Energy at 0K	-118.109518
Energy at 298.15K	-118.115734
HF Energy	-117.671825
Nuclear repulsion energy	75.661659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3245	3245
2	A'	3171	3171
3	A'	3112	3112
4	A'	3030	3030
5	A'	1518	1518
6	A'	1500	1500
7	A'	1439	1439
8	A'	1204	1204
9	A'	1059	1059
10	A'	906	906
11	A'	425	425
12	A'	362	362
13	A'	159	159
14	A"	3172	3172
15	A"	3113	3113
16	A"	3029	3029
17	A"	1506	1506
18	A"	1488	1488
19	A"	1442	1442
20	A"	1393	1393
21	A"	1175	1175
22	A"	954	954
23	A"	952	952
24	A"	88	88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.545	0.000
C2	-0.013	-0.200	1.288
C3	-0.013	-0.200	-1.288
H4	0.296	1.581	0.000
H5	-0.768	-0.990	1.284
H6	-0.768	-0.990	-1.284
H7	0.953	-0.689	1.471
H8	-0.212	0.455	2.137
H9	0.953	-0.689	-1.471
H10	-0.212	0.455	-2.137

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4883	1.4883	1.0814	2.1388	2.1388	2.1497	2.1477	2.1497	2.1477
C2	1.4883		2.5770	2.2200	1.0927	2.7948	1.0982	1.0895	2.9647	3.4927
C3	1.4883	2.5770		2.2200	2.7948	1.0927	2.9647	3.4927	1.0982	1.0895
H4	1.0814	2.2200	2.2200		3.0647	3.0647	2.7841	2.4681	2.7841	2.4681
H5	2.1388	1.0927	2.7948	3.0647		2.5678	1.7568	1.7676	3.2623	3.7546
H6	2.1388	2.7948	1.0927	3.0647	2.5678		3.2623	3.7546	1.7568	1.7676
H7	2.1497	1.0982	2.9647	2.7841	1.7568	3.2623		1.7626	2.9428	3.9600
H8	2.1477	1.0895	3.4927	2.4681	1.7676	3.7546	1.7626		3.9600	4.2732
H9	2.1497	2.9647	1.0982	2.7841	3.2623	1.7568	2.9428	3.9600		1.7626
H10	2.1477	3.4927	1.0895	2.4681	3.7546	1.7676	3.9600	4.2732	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.001	C1	C2	H7	111.536
C1	C2	H8	111.912	C1	C3	H6	111.001
C1	C3	H9	111.536	C1	C3	H10	111.912
C2	C1	C3	119.932	C2	C1	H4	118.662
C3	C1	H4	118.662	H5	C2	H7	106.616
H5	C2	H8	108.191	H6	C3	H9	106.616
H6	C3	H10	108.191	H7	C2	H8	107.343
H9	C3	H10	107.343

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

using model chemistry: ROMP2/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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Number	Element	Mulliken
1	C	-0.122
2	C	-0.230
3	C	-0.230
4	H	0.100
5	H	0.077
6	H	0.077
7	H	0.076
8	H	0.088
9	H	0.076
10	H	0.088

<r²>	61.196
(<r²>)^1/2	7.823

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

using model chemistry: ROMP2/TZVP

States and conformations

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