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	hartrees
Energy at 0K	-118.067384
Energy at 298.15K	-118.073650
HF Energy	-117.644616
Nuclear repulsion energy	75.581464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3277	3277
2	A'	3209	3209
3	A'	3149	3149
4	A'	3065	3065
5	A'	1540	1540
6	A'	1525	1525
7	A'	1460	1460
8	A'	1216	1216
9	A'	1068	1068
10	A'	916	916
11	A'	424	424
12	A'	360	360
13	A'	159	159
14	A"	3210	3210
15	A"	3151	3151
16	A"	3064	3064
17	A"	1529	1529
18	A"	1515	1515
19	A"	1465	1465
20	A"	1410	1410
21	A"	1189	1189
22	A"	966	966
23	A"	961	961
24	A"	117	117

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.545	0.000
C2	-0.013	-0.200	1.291
C3	-0.013	-0.200	-1.291
H4	0.293	1.583	0.000
H5	-0.774	-0.985	1.289
H6	-0.774	-0.985	-1.289
H7	0.949	-0.697	1.471
H8	-0.204	0.457	2.138
H9	0.949	-0.697	-1.471
H10	-0.204	0.457	-2.138

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4911	1.4911	1.0817	2.1399	2.1399	2.1526	2.1487	2.1526	2.1487
C2	1.4911		2.5825	2.2228	1.0923	2.8016	1.0977	1.0893	2.9673	3.4973
C3	1.4911	2.5825		2.2228	2.8016	1.0923	2.9673	3.4973	1.0977	1.0893
H4	1.0817	2.2228	2.2228		3.0642	3.0642	2.7913	2.4671	2.7913	2.4671
H5	2.1399	1.0923	2.8016	3.0642		2.5772	1.7562	1.7677	3.2663	3.7612
H6	2.1399	2.8016	1.0923	3.0642	2.5772		3.2663	3.7612	1.7562	1.7677
H7	2.1526	1.0977	2.9673	2.7913	1.7562	3.2663		1.7626	2.9428	3.9613
H8	2.1487	1.0893	3.4973	2.4671	1.7677	3.7612	1.7626		3.9613	4.2767
H9	2.1526	2.9673	1.0977	2.7913	3.2663	1.7562	2.9428	3.9613		1.7626
H10	2.1487	3.4973	1.0893	2.4671	3.7612	1.7677	3.9613	4.2767	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.911	C1	C2	H7	111.607
C1	C2	H8	111.811	C1	C3	H6	110.911
C1	C3	H9	111.607	C1	C3	H10	111.811
C2	C1	C3	119.988	C2	C1	H4	118.661
C3	C1	H4	118.661	H5	C2	H7	106.630
H5	C2	H8	108.245	H6	C3	H9	106.630
H6	C3	H10	108.245	H7	C2	H8	107.406
H9	C3	H10	107.406

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

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

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	-0.017
2	C	-0.450
3	C	-0.450
4	H	0.133
5	H	0.129
6	H	0.129
7	H	0.129
8	H	0.134
9	H	0.129
10	H	0.134

<r²>	61.393
(<r²>)^1/2	7.835

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

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

States and conformations

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