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	hartrees
Energy at 0K	-118.192209
Energy at 298.15K	-118.198441
HF Energy	-117.680413
Nuclear repulsion energy	75.729172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3083	18.82
2	A'	3157	3008	13.56
3	A'	3092	2947	33.65
4	A'	3014	2872	32.09
5	A'	1512	1441	5.24
6	A'	1503	1433	14.29
7	A'	1421	1354	3.96
8	A'	1194	1138	2.04
9	A'	1045	995	0.05
10	A'	907	864	1.67
11	A'	408	389	17.43
12	A'	348	332	10.04
13	A'	151	144	0.41
14	A"	3158	3010	18.06
15	A"	3094	2949	3.86
16	A"	3013	2872	23.52
17	A"	1499	1429	0.61
18	A"	1492	1421	1.03
19	A"	1427	1360	9.27
20	A"	1377	1312	2.01
21	A"	1168	1113	0.06
22	A"	952	907	0.89
23	A"	943	899	0.02
24	A"	124	118	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.548	0.000
C2	-0.013	-0.200	1.286
C3	-0.013	-0.200	-1.286
H4	0.279	1.587	0.000
H5	-0.783	-0.975	1.288
H6	-0.783	-0.975	-1.288
H7	0.944	-0.712	1.452
H8	-0.184	0.453	2.139
H9	0.944	-0.712	-1.452
H10	-0.184	0.453	-2.139

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4875	1.4875	1.0800	2.1378	2.1378	2.1471	2.1480	2.1471	2.1480
C2	1.4875		2.5717	2.2213	1.0922	2.7961	1.0976	1.0883	2.9448	3.4910
C3	1.4875	2.5717		2.2213	2.7961	1.0922	2.9448	3.4910	1.0976	1.0883
H4	1.0800	2.2213	2.2213		3.0582	3.0582	2.7997	2.4649	2.7997	2.4649
H5	2.1378	1.0922	2.7961	3.0582		2.5761	1.7536	1.7675	3.2489	3.7611
H6	2.1378	2.7961	1.0922	3.0582	2.5761		3.2489	3.7611	1.7536	1.7675
H7	2.1471	1.0976	2.9448	2.7997	1.7536	3.2489		1.7612	2.9035	3.9400
H8	2.1480	1.0883	3.4910	2.4649	1.7675	3.7611	1.7612		3.9400	4.2783
H9	2.1471	2.9448	1.0976	2.7997	3.2489	1.7536	2.9035	3.9400		1.7612
H10	2.1480	3.4910	1.0883	2.4649	3.7611	1.7675	3.9400	4.2783	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.007	C1	C2	H7	111.420
C1	C2	H8	112.073	C1	C3	H6	111.007
C1	C3	H9	111.420	C1	C3	H10	112.073
C2	C1	C3	119.637	C2	C1	H4	118.951
C3	C1	H4	118.951	H5	C2	H7	106.422
H5	C2	H8	108.310	H6	C3	H9	106.422
H6	C3	H10	108.310	H7	C2	H8	107.357
H9	C3	H10	107.357

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

using model chemistry: MP2/aug-cc-pVTZ

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-pVTZ

States and conformations

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