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	hartrees
Energy at 0K	-118.006110
Energy at 298.15K	-118.012429
HF Energy	-117.635881
Nuclear repulsion energy	75.417086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3026	31.87
2	A'	3202	2964	22.97
3	A'	3152	2918	52.76
4	A'	3079	2851	39.15
5	A'	1578	1461	4.14
6	A'	1566	1450	12.51
7	A'	1502	1390	3.28
8	A'	1242	1150	2.71
9	A'	1098	1017	0.10
10	A'	923	854	1.66
11	A'	442	410	18.32
12	A'	366	339	6.40
13	A'	156	144	0.16
14	A"	3202	2965	24.96
15	A"	3150	2916	5.82
16	A"	3074	2846	24.07
17	A"	1568	1452	0.89
18	A"	1556	1440	1.23
19	A"	1503	1391	6.86
20	A"	1442	1335	2.94
21	A"	1201	1111	0.02
22	A"	997	923	0.55
23	A"	983	910	0.59
24	A"	129	120	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.013	0.543	0.000
C2	0.013	-0.200	1.296
C3	0.013	-0.200	-1.296
H4	-0.308	1.578	0.000
H5	-0.954	-0.684	1.489
H6	-0.954	-0.684	-1.489
H7	0.767	-0.993	1.294
H8	0.220	0.461	2.139
H9	0.767	-0.993	-1.294
H10	0.220	0.461	-2.139

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4941	1.4941	1.0837	2.1584	2.1584	2.1454	2.1508	2.1454	2.1508
C2	1.4941		2.5925	2.2236	1.0988	2.9882	1.0937	1.0911	2.8122	3.5047
C3	1.4941	2.5925		2.2236	2.9882	1.0988	2.8122	3.5047	1.0937	1.0911
H4	1.0837	2.2236	2.2236		2.7837	2.7837	3.0725	2.4703	3.0725	2.4703
H5	2.1584	1.0988	2.9882	2.7837		2.9787	1.7592	1.7639	3.2874	3.9819
H6	2.1584	2.9882	1.0988	2.7837	2.9787		3.2874	3.9819	1.7592	1.7639
H7	2.1454	1.0937	2.8122	3.0725	1.7592	3.2874		1.7685	2.5890	3.7689
H8	2.1508	1.0911	3.5047	2.4703	1.7639	3.9819	1.7685		3.7689	4.2786
H9	2.1454	2.8122	1.0937	3.0725	3.2874	1.7592	2.5890	3.7689		1.7685
H10	2.1508	3.5047	1.0911	2.4703	3.9819	1.7639	3.7689	4.2786	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.795	C1	C2	H7	111.052
C1	C2	H8	111.654	C1	C3	H6	111.795
C1	C3	H9	111.052	C1	C3	H10	111.654
C2	C1	C3	120.359	C2	C1	H4	118.352
C3	C1	H4	118.352	H5	C2	H7	106.714
H5	C2	H8	107.309	H6	C3	H9	106.714
H6	C3	H10	107.309	H7	C2	H8	108.079
H9	C3	H10	108.079

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

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

States and conformations

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