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	hartrees
Energy at 0K	-118.138006
Energy at 298.15K	-118.144176
HF Energy	-117.648358
Nuclear repulsion energy	74.735930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3202	3128
2	A'	3132	3060
3	A'	3077	3006
4	A'	3000	2931
5	A'	1543	1507
6	A'	1530	1495
7	A'	1462	1429
8	A'	1213	1185
9	A'	1075	1050
10	A'	907	886
11	A'	441	431
12	A'	362	354
13	A'	157	154
14	A"	3133	3060
15	A"	3077	3006
16	A"	2997	2928
17	A"	1533	1498
18	A"	1520	1485
19	A"	1464	1430
20	A"	1410	1378
21	A"	1181	1154
22	A"	971	949
23	A"	959	937
24	A"	134	131

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.551	0.000
C2	-0.013	-0.203	1.303
C3	-0.013	-0.203	-1.303
H4	0.289	1.605	0.000
H5	-0.789	-0.994	1.305
H6	-0.789	-0.994	-1.305
H7	0.961	-0.712	1.481
H8	-0.198	0.465	2.163
H9	0.961	-0.712	-1.481
H10	-0.198	0.465	-2.163

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5056	1.5056	1.0964	2.1658	2.1658	2.1762	2.1730	2.1762	2.1730
C2	1.5056		2.6067	2.2490	1.1078	2.8338	1.1132	1.1041	2.9931	3.5353
C3	1.5056	2.6067		2.2490	2.8338	1.1078	2.9931	3.5353	1.1132	1.1041
H4	1.0964	2.2490	2.2490		3.1012	3.1012	2.8307	2.4935	2.8307	2.4935
H5	2.1658	1.1078	2.8338	3.1012		2.6099	1.7806	1.7925	3.3015	3.8087
H6	2.1658	2.8338	1.1078	3.1012	2.6099		3.3015	3.8087	1.7806	1.7925
H7	2.1762	1.1132	2.9931	2.8307	1.7806	3.3015		1.7866	2.9614	4.0007
H8	2.1730	1.1041	3.5353	2.4935	1.7925	3.8087	1.7866		4.0007	4.3269
H9	2.1762	2.9931	1.1132	2.8307	3.3015	1.7806	2.9614	4.0007		1.7866
H10	2.1730	3.5353	1.1041	2.4935	3.8087	1.7925	4.0007	4.3269	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.021	C1	C2	H7	111.528
C1	C2	H8	111.825	C1	C3	H6	111.021
C1	C3	H9	111.528	C1	C3	H10	111.825
C2	C1	C3	119.919	C2	C1	H4	118.769
C3	C1	H4	118.769	H5	C2	H7	106.592
H5	C2	H8	108.268	H6	C3	H9	106.592
H6	C3	H10	108.268	H7	C2	H8	107.371
H9	C3	H10	107.371

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

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

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