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	hartrees
Energy at 0K	-117.240798
Energy at 298.15K	-117.247130
HF Energy	-116.981691
Nuclear repulsion energy	74.866854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3224	3224
2	A'	3149	3149
3	A'	3103	3103
4	A'	3035	3035
5	A'	1601	1601
6	A'	1590	1590
7	A'	1502	1502
8	A'	1240	1240
9	A'	1111	1111
10	A'	866	866
11	A'	443	443
12	A'	366	366
13	A'	154	154
14	A"	3149	3149
15	A"	3102	3102
16	A"	3034	3034
17	A"	1591	1591
18	A"	1579	1579
19	A"	1486	1486
20	A"	1437	1437
21	A"	1140	1140
22	A"	1012	1012
23	A"	995	995
24	A"	135	135

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.554	0.000
C2	-0.014	-0.205	1.307
C3	-0.014	-0.205	-1.307
H4	0.331	1.584	0.000
H5	-0.774	-0.997	1.291
H6	-0.774	-0.997	-1.291
H7	0.959	-0.688	1.494
H8	-0.225	0.459	2.152
H9	0.959	-0.688	-1.494
H10	-0.225	0.459	-2.152

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5117	1.5117	1.0855	2.1559	2.1559	2.1732	2.1647	2.1732	2.1647
C2	1.5117		2.6146	2.2419	1.0974	2.8200	1.1021	1.0951	3.0048	3.5290
C3	1.5117	2.6146		2.2419	2.8200	1.0974	3.0048	3.5290	1.1021	1.0951
H4	1.0855	2.2419	2.2419		3.0891	3.0891	2.7906	2.4912	2.7906	2.4912
H5	2.1559	1.0974	2.8200	3.0891		2.5811	1.7713	1.7783	3.2941	3.7779
H6	2.1559	2.8200	1.0974	3.0891	2.5811		3.2941	3.7779	1.7713	1.7783
H7	2.1732	1.1021	3.0048	2.7906	1.7713	3.2941		1.7748	2.9887	4.0018
H8	2.1647	1.0951	3.5290	2.4912	1.7783	3.7779	1.7748		4.0018	4.3046
H9	2.1732	3.0048	1.1021	2.7906	3.2941	1.7713	2.9887	4.0018		1.7748
H10	2.1647	3.5290	1.0951	2.4912	3.7779	1.7783	4.0018	4.3046	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.435	C1	C2	H7	111.530
C1	C2	H8	111.278	C1	C3	H6	110.435
C1	C3	H9	111.530	C1	C3	H10	111.278
C2	C1	C3	119.711	C2	C1	H4	118.435
C3	C1	H4	118.435	H5	C2	H7	107.284
H5	C2	H8	108.405	H6	C3	H9	107.284
H6	C3	H10	108.405	H7	C2	H8	107.754
H9	C3	H10	107.754

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

using model chemistry: ROMP2/3-21G

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	-0.189
2	C	-0.621
3	C	-0.621
4	H	0.203
5	H	0.205
6	H	0.205
7	H	0.202
8	H	0.207
9	H	0.202
10	H	0.207

<r²>	62.272
(<r²>)^1/2	7.891

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

using model chemistry: ROMP2/3-21G

States and conformations

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