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	hartrees
Energy at 0K	-118.145811
Energy at 298.15K	-118.152055
HF Energy	-117.667144
Nuclear repulsion energy	75.161998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3060	30.06
2	A'	3135	2995	23.03
3	A'	3083	2945	52.25
4	A'	3009	2874	39.59
5	A'	1518	1450	4.10
6	A'	1508	1440	12.65
7	A'	1442	1377	3.45
8	A'	1200	1146	1.72
9	A'	1062	1014	0.30
10	A'	900	860	1.53
11	A'	427	407	18.40
12	A'	357	341	5.38
13	A'	154	147	0.16
14	A"	3136	2995	23.70
15	A"	3083	2944	5.61
16	A"	3006	2871	26.21
17	A"	1508	1441	0.53
18	A"	1497	1430	1.45
19	A"	1447	1382	7.09
20	A"	1390	1327	3.09
21	A"	1168	1116	0.00
22	A"	957	914	0.48
23	A"	950	907	0.31
24	A"	111	106	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.547	0.000
C2	-0.014	-0.202	1.300
C3	-0.014	-0.202	-1.300
H4	0.315	1.583	0.000
H5	-0.769	-0.999	1.293
H6	-0.769	-0.999	-1.293
H7	0.959	-0.685	1.487
H8	-0.221	0.459	2.148
H9	0.959	-0.685	-1.487
H10	-0.221	0.459	-2.148

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5000	1.5000	1.0871	2.1523	2.1523	2.1632	2.1593	2.1632	2.1593
C2	1.5000		2.5992	2.2325	1.0976	2.8156	1.1030	1.0948	2.9915	3.5161
C3	1.5000	2.5992		2.2325	2.8156	1.0976	2.9915	3.5161	1.1030	1.0948
H4	1.0871	2.2325	2.2325		3.0847	3.0847	2.7883	2.4826	2.7883	2.4826
H5	2.1523	1.0976	2.8156	3.0847		2.5864	1.7666	1.7766	3.2886	3.7770
H6	2.1523	2.8156	1.0976	3.0847	2.5864		3.2886	3.7770	1.7666	1.7766
H7	2.1632	1.1030	2.9915	2.7883	1.7666	3.2886		1.7716	2.9748	3.9895
H8	2.1593	1.0948	3.5161	2.4826	1.7766	3.7770	1.7716		3.9895	4.2952
H9	2.1632	2.9915	1.1030	2.7883	3.2886	1.7666	2.9748	3.9895		1.7716
H10	2.1593	3.5161	1.0948	2.4826	3.7770	1.7766	3.9895	4.2952	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.956	C1	C2	H7	111.502
C1	C2	H8	111.691	C1	C3	H6	110.956
C1	C3	H9	111.502	C1	C3	H10	111.691
C2	C1	C3	120.086	C2	C1	H4	118.417
C3	C1	H4	118.417	H5	C2	H7	106.791
H5	C2	H8	108.256	H6	C3	H9	106.791
H6	C3	H10	108.256	H7	C2	H8	107.428
H9	C3	H10	107.428

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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