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	hartrees
Energy at 0K	-116.390859
Energy at 298.15K	-116.397097
HF Energy	-116.247450
Nuclear repulsion energy	74.060949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3550	3155	4.66
2	A'	3513	3123	6.34
3	A'	3510	3120	3.65
4	A'	3352	2980	1.52
5	A'	1735	1542	1.33
6	A'	1728	1536	3.39
7	A'	1628	1448	0.44
8	A'	1314	1168	5.61
9	A'	1183	1052	0.79
10	A'	964	857	0.42
11	A'	537	478	5.25
12	A'	371	330	0.84
13	A'	152	135	0.07
14	A"	3548	3154	1.01
15	A"	3512	3122	0.37
16	A"	3353	2980	4.10
17	A"	1733	1541	0.03
18	A"	1724	1533	0.05
19	A"	1626	1445	0.57
20	A"	1534	1363	20.99
21	A"	1253	1114	0.05
22	A"	1071	952	0.00
23	A"	1041	926	0.29
24	A"	131	116	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.563	0.000
C2	-0.020	-0.207	1.325
C3	-0.020	-0.207	-1.325
H4	0.468	1.550	0.000
H5	-0.762	-1.024	1.304
H6	-0.762	-1.024	-1.304
H7	0.969	-0.661	1.530
H8	-0.262	0.461	2.169
H9	0.969	-0.661	-1.530
H10	-0.262	0.461	-2.169

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5323	1.5323	1.1008	2.1843	2.1843	2.1953	2.1850	2.1953	2.1850
C2	1.5323		2.6493	2.2538	1.1040	2.8514	1.1078	1.1037	3.0553	3.5654
C3	1.5323	2.6493		2.2538	2.8514	1.1040	3.0553	3.5654	1.1078	1.1037
H4	1.1008	2.2538	2.2538		3.1368	3.1368	2.7356	2.5343	2.7356	2.5343
H5	2.1843	1.1040	2.8514	3.1368		2.6089	1.7836	1.7898	3.3415	3.8107
H6	2.1843	2.8514	1.1040	3.1368	2.6089		3.3415	3.8107	1.7836	1.7898
H7	2.1953	1.1078	3.0553	2.7356	1.7836	3.3415		1.7844	3.0604	4.0572
H8	2.1850	1.1037	3.5654	2.5343	1.7898	3.8107	1.7844		4.0572	4.3383
H9	2.1953	3.0553	1.1078	2.7356	3.3415	1.7836	3.0604	4.0572		1.7844
H10	2.1850	3.5654	1.1037	2.5343	3.8107	1.7898	4.0572	4.3383	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.857	C1	C2	H7	111.500
C1	C2	H8	110.926	C1	C3	H6	110.857
C1	C3	H9	111.500	C1	C3	H10	110.926
C2	C1	C3	119.654	C2	C1	H4	116.785
C3	C1	H4	116.785	H5	C2	H7	107.492
H5	C2	H8	108.329	H6	C3	H9	107.492
H6	C3	H10	108.329	H7	C2	H8	107.582
H9	C3	H10	107.582

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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