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	hartrees
Energy at 0K	-118.003962
Energy at 298.15K	-118.010284
HF Energy	-117.635903
Nuclear repulsion energy	75.432629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3026	30.72
2	A'	3209	2964	22.29
3	A'	3160	2919	51.44
4	A'	3087	2851	36.26
5	A'	1579	1459	4.30
6	A'	1568	1448	12.90
7	A'	1503	1389	3.41
8	A'	1244	1149	2.80
9	A'	1100	1016	0.10
10	A'	925	854	1.68
11	A'	443	410	18.46
12	A'	367	339	6.39
13	A'	156	144	0.16
14	A"	3210	2965	23.62
15	A"	3158	2917	5.29
16	A"	3082	2847	24.09
17	A"	1569	1450	0.93
18	A"	1557	1439	1.29
19	A"	1505	1390	7.20
20	A"	1444	1333	2.69
21	A"	1203	1111	0.02
22	A"	998	922	0.52
23	A"	984	909	0.65
24	A"	129	119	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.543	0.000
C2	0.014	-0.200	1.296
C3	0.014	-0.200	-1.296
H4	-0.310	1.577	0.000
H5	-0.953	-0.684	1.488
H6	-0.953	-0.684	-1.488
H7	0.767	-0.992	1.295
H8	0.219	0.461	2.139
H9	0.767	-0.992	-1.295
H10	0.219	0.461	-2.139

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4940	1.4940	1.0833	2.1577	2.1577	2.1448	2.1503	2.1448	2.1503
C2	1.4940		2.5922	2.2230	1.0983	2.9871	1.0934	1.0908	2.8119	3.5041
C3	1.4940	2.5922		2.2230	2.9871	1.0983	2.8119	3.5041	1.0934	1.0908
H4	1.0833	2.2230	2.2230		2.7823	2.7823	3.0717	2.4697	3.0717	2.4697
H5	2.1577	1.0983	2.9871	2.7823		2.9768	1.7589	1.7635	3.2864	3.9804
H6	2.1577	2.9871	1.0983	2.7823	2.9768		3.2864	3.9804	1.7589	1.7635
H7	2.1448	1.0934	2.8119	3.0717	1.7589	3.2864		1.7678	2.5890	3.7683
H8	2.1503	1.0908	3.5041	2.4697	1.7635	3.9804	1.7678		3.7683	4.2777
H9	2.1448	2.8119	1.0934	3.0717	3.2864	1.7589	2.5890	3.7683		1.7678
H10	2.1503	3.5041	1.0908	2.4697	3.9804	1.7635	3.7683	4.2777	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.779	C1	C2	H7	111.039
C1	C2	H8	111.641	C1	C3	H6	111.779
C1	C3	H9	111.039	C1	C3	H10	111.641
C2	C1	C3	120.349	C2	C1	H4	118.341
C3	C1	H4	118.341	H5	C2	H7	106.746
H5	C2	H8	107.330	H6	C3	H9	106.746
H6	C3	H10	107.330	H7	C2	H8	108.071
H9	C3	H10	108.071

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

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

States and conformations

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