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	hartrees
Energy at 0K	-118.051182
Energy at 298.15K	-118.057454
HF Energy	-117.635383
Nuclear repulsion energy	75.183243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3045	31.62
2	A'	3133	2983	22.39
3	A'	3079	2932	51.77
4	A'	3003	2860	40.55
5	A'	1546	1472	3.99
6	A'	1533	1460	12.02
7	A'	1469	1399	3.20
8	A'	1217	1159	2.57
9	A'	1077	1026	0.10
10	A'	909	866	1.63
11	A'	432	412	18.14
12	A'	362	345	6.62
13	A'	151	144	0.15
14	A"	3133	2984	25.21
15	A"	3078	2931	6.17
16	A"	3000	2856	23.09
17	A"	1536	1463	0.87
18	A"	1523	1450	1.12
19	A"	1470	1399	6.82
20	A"	1415	1347	2.62
21	A"	1182	1126	0.00
22	A"	977	930	0.74
23	A"	964	918	0.49
24	A"	129	122	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.543	0.000
C2	-0.013	-0.200	1.299
C3	-0.013	-0.200	-1.299
H4	0.296	1.588	0.000
H5	-0.766	-1.002	1.294
H6	-0.766	-1.002	-1.294
H7	0.961	-0.683	1.497
H8	-0.226	0.463	2.145
H9	0.961	-0.683	-1.497
H10	-0.226	0.463	-2.145

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4964	1.4964	1.0893	2.1516	2.1516	2.1664	2.1575	2.1664	2.1575
C2	1.4964		2.5972	2.2314	1.0996	2.8166	1.1050	1.0967	2.9995	3.5138
C3	1.4964	2.5972		2.2314	2.8166	1.0996	2.9995	3.5138	1.1050	1.0967
H4	1.0893	2.2314	2.2314		3.0837	3.0837	2.7997	2.4780	2.7997	2.4780
H5	2.1516	1.0996	2.8166	3.0837		2.5889	1.7677	1.7781	3.2978	3.7776
H6	2.1516	2.8166	1.0996	3.0837	2.5889		3.2978	3.7776	1.7677	1.7781
H7	2.1664	1.1050	2.9995	2.7997	1.7677	3.2978		1.7728	2.9939	3.9987
H8	2.1575	1.0967	3.5138	2.4780	1.7781	3.7776	1.7728		3.9987	4.2909
H9	2.1664	2.9995	1.1050	2.7997	3.2978	1.7677	2.9939	3.9987		1.7728
H10	2.1575	3.5138	1.0967	2.4780	3.7776	1.7781	3.9987	4.2909	1.7728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.034	C1	C2	H7	111.890
C1	C2	H8	111.685	C1	C3	H6	111.034
C1	C3	H9	111.890	C1	C3	H10	111.685
C2	C1	C3	120.408	C2	C1	H4	118.453
C3	C1	H4	118.453	H5	C2	H7	106.609
H5	C2	H8	108.115	H6	C3	H9	106.609
H6	C3	H10	108.115	H7	C2	H8	107.262
H9	C3	H10	107.262

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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