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	hartrees
Energy at 0K	-118.226783
Energy at 298.15K	-118.232999
HF Energy	-117.687493
Nuclear repulsion energy	75.852340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3079	17.52
2	A'	3163	3004	13.07
3	A'	3096	2941	33.03
4	A'	3018	2866	31.05
5	A'	1509	1433	5.37
6	A'	1499	1423	14.81
7	A'	1418	1347	4.25
8	A'	1193	1133	2.12
9	A'	1040	988	0.02
10	A'	909	863	1.76
11	A'	404	384	16.09
12	A'	346	329	11.85
13	A'	148	140	0.56
14	A"	3164	3005	17.39
15	A"	3098	2943	3.53
16	A"	3017	2865	23.33
17	A"	1496	1421	0.59
18	A"	1487	1412	1.11
19	A"	1427	1356	9.98
20	A"	1376	1307	1.25
21	A"	1169	1110	0.06
22	A"	950	902	0.90
23	A"	942	894	0.01
24	A"	125	119	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.546	0.000
C2	-0.013	-0.200	1.283
C3	-0.013	-0.200	-1.283
H4	0.266	1.588	0.000
H5	-0.783	-0.972	1.287
H6	-0.783	-0.972	-1.287
H7	0.941	-0.714	1.448
H8	-0.179	0.452	2.137
H9	0.941	-0.714	-1.448
H10	-0.179	0.452	-2.137

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4847	1.4847	1.0786	2.1347	2.1347	2.1435	2.1452	2.1435	2.1452
C2	1.4847		2.5669	2.2187	1.0908	2.7926	1.0960	1.0869	2.9381	3.4858
C3	1.4847	2.5669		2.2187	2.7926	1.0908	2.9381	3.4858	1.0960	1.0869
H4	1.0786	2.2187	2.2187		3.0520	3.0520	2.8024	2.4605	2.8024	2.4605
H5	2.1347	1.0908	2.7926	3.0520		2.5747	1.7504	1.7651	3.2431	3.7574
H6	2.1347	2.7926	1.0908	3.0520	2.5747		3.2431	3.7574	1.7504	1.7651
H7	2.1435	1.0960	2.9381	2.8024	1.7504	3.2431		1.7584	2.8950	3.9323
H8	2.1452	1.0869	3.4858	2.4605	1.7651	3.7574	1.7584		3.9323	4.2733
H9	2.1435	2.9381	1.0960	2.8024	3.2431	1.7504	2.8950	3.9323		1.7584
H10	2.1452	3.4858	1.0869	2.4605	3.7574	1.7651	3.9323	4.2733	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.040	C1	C2	H7	111.431
C1	C2	H8	112.141	C1	C3	H6	111.040
C1	C3	H9	111.431	C1	C3	H10	112.141
C2	C1	C3	119.647	C2	C1	H4	119.050
C3	C1	H4	119.050	H5	C2	H7	106.343
H5	C2	H8	108.301	H6	C3	H9	106.343
H6	C3	H10	108.301	H7	C2	H8	107.323
H9	C3	H10	107.323

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

using model chemistry: MP2/aug-cc-pVQZ

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: MP2/aug-cc-pVQZ

States and conformations

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