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	hartrees
Energy at 0K	-118.041460
Energy at 298.15K	-118.047769
HF Energy	-117.635675
Nuclear repulsion energy	75.306333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3041	28.84
2	A'	3174	2979	20.16
3	A'	3123	2931	47.62
4	A'	3048	2861	32.91
5	A'	1557	1462	4.62
6	A'	1545	1450	13.43
7	A'	1479	1388	3.66
8	A'	1226	1150	2.91
9	A'	1085	1019	0.12
10	A'	916	860	1.70
11	A'	443	416	19.71
12	A'	366	343	5.87
13	A'	157	147	0.13
14	A"	3175	2980	21.44
15	A"	3122	2930	4.63
16	A"	3046	2859	22.39
17	A"	1548	1453	1.00
18	A"	1534	1440	1.35
19	A"	1481	1390	8.15
20	A"	1424	1337	2.12
21	A"	1193	1120	0.00
22	A"	983	922	0.69
23	A"	970	910	0.67
24	A"	132	124	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.544	0.000
C2	-0.014	-0.200	1.297
C3	-0.014	-0.200	-1.297
H4	0.310	1.581	0.000
H5	-0.766	-0.998	1.291
H6	-0.766	-0.998	-1.291
H7	0.958	-0.682	1.493
H8	-0.225	0.462	2.142
H9	0.958	-0.682	-1.493
H10	-0.225	0.462	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4954	1.4954	1.0866	2.1474	2.1474	2.1620	2.1538	2.1620	2.1538
C2	1.4954		2.5942	2.2272	1.0967	2.8112	1.1018	1.0940	2.9930	3.5085
C3	1.4954	2.5942		2.2272	2.8112	1.0967	2.9930	3.5085	1.1018	1.0940
H4	1.0866	2.2272	2.2272		3.0786	3.0786	2.7872	2.4752	2.7872	2.4752
H5	2.1474	1.0967	2.8112	3.0786		2.5828	1.7642	1.7739	3.2898	3.7697
H6	2.1474	2.8112	1.0967	3.0786	2.5828		3.2898	3.7697	1.7642	1.7739
H7	2.1620	1.1018	2.9930	2.7872	1.7642	3.2898		1.7691	2.9852	3.9896
H8	2.1538	1.0940	3.5085	2.4752	1.7739	3.7697	1.7691		3.9896	4.2836
H9	2.1620	2.9930	1.1018	2.7872	3.2898	1.7642	2.9852	3.9896		1.7691
H10	2.1538	3.5085	1.0940	2.4752	3.7697	1.7739	3.9896	4.2836	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.945	C1	C2	H7	111.803
C1	C2	H8	111.629	C1	C3	H6	110.945
C1	C3	H9	111.803	C1	C3	H10	111.629
C2	C1	C3	120.317	C2	C1	H4	118.360
C3	C1	H4	118.360	H5	C2	H7	106.733
H5	C2	H8	108.146	H6	C3	H9	106.733
H6	C3	H10	108.146	H7	C2	H8	107.354
H9	C3	H10	107.354

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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