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	hartrees
Energy at 0K	-118.062016
Energy at 298.15K	-118.068325
HF Energy	-117.642771
Nuclear repulsion energy	75.602239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3282	3282
2	A'	3218	3218
3	A'	3165	3165
4	A'	3080	3080
5	A'	1554	1554
6	A'	1544	1544
7	A'	1470	1470
8	A'	1222	1222
9	A'	1079	1079
10	A'	919	919
11	A'	441	441
12	A'	367	367
13	A'	159	159
14	A"	3219	3219
15	A"	3165	3165
16	A"	3078	3078
17	A"	1545	1545
18	A"	1533	1533
19	A"	1475	1475
20	A"	1419	1419
21	A"	1195	1195
22	A"	975	975
23	A"	965	965
24	A"	125	125

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.543	0.000
C2	-0.014	-0.200	1.292
C3	-0.014	-0.200	-1.292
H4	0.311	1.575	0.000
H5	-0.759	-0.997	1.285
H6	-0.759	-0.997	-1.285
H7	0.954	-0.677	1.488
H8	-0.227	0.456	2.134
H9	0.954	-0.677	-1.488
H10	-0.227	0.456	-2.134

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4905	1.4905	1.0813	2.1398	2.1398	2.1537	2.1469	2.1537	2.1469
C2	1.4905		2.5839	2.2190	1.0914	2.7982	1.0966	1.0889	2.9817	3.4951
C3	1.4905	2.5839		2.2190	2.7982	1.0914	2.9817	3.4951	1.0966	1.0889
H4	1.0813	2.2190	2.2190		3.0674	3.0674	2.7740	2.4693	2.7740	2.4693
H5	2.1398	1.0914	2.7982	3.0674		2.5694	1.7553	1.7651	3.2750	3.7529
H6	2.1398	2.7982	1.0914	3.0674	2.5694		3.2750	3.7529	1.7553	1.7651
H7	2.1537	1.0966	2.9817	2.7740	1.7553	3.2750		1.7599	2.9754	3.9748
H8	2.1469	1.0889	3.4951	2.4693	1.7651	3.7529	1.7599		3.9748	4.2689
H9	2.1537	2.9817	1.0966	2.7740	3.2750	1.7553	2.9754	3.9748		1.7599
H10	2.1469	3.4951	1.0889	2.4693	3.7529	1.7651	3.9748	4.2689	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.998	C1	C2	H7	111.806
C1	C2	H8	111.733	C1	C3	H6	110.998
C1	C3	H9	111.806	C1	C3	H10	111.733
C2	C1	C3	120.176	C2	C1	H4	118.401
C3	C1	H4	118.401	H5	C2	H7	106.680
H5	C2	H8	108.110	H6	C3	H9	106.680
H6	C3	H10	108.110	H7	C2	H8	107.272
H9	C3	H10	107.272

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

using model chemistry: ROMP2/6-31G**

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	-0.117
2	C	-0.347
3	C	-0.347
4	H	0.118
5	H	0.115
6	H	0.115
7	H	0.113
8	H	0.119
9	H	0.113
10	H	0.119

<r²>	61.223
(<r²>)^1/2	7.825

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

using model chemistry: ROMP2/6-31G**

States and conformations

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