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	hartrees
Energy at 0K	-117.283601
Energy at 298.15K	-117.289836
HF Energy	-116.984754
Nuclear repulsion energy	74.550437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3030	26.23
2	A'	3079	2959	18.37
3	A'	3031	2913	44.44
4	A'	2964	2849	34.93
5	A'	1576	1514	4.74
6	A'	1565	1504	12.18
7	A'	1481	1424	4.34
8	A'	1220	1172	4.61
9	A'	1092	1049	0.75
10	A'	847	814	1.16
11	A'	414	398	15.53
12	A'	354	340	11.34
13	A'	140	135	0.17
14	A"	3079	2959	23.87
15	A"	3029	2911	5.13
16	A"	2961	2846	15.66
17	A"	1566	1505	1.54
18	A"	1554	1493	0.47
19	A"	1466	1409	3.33
20	A"	1408	1353	7.78
21	A"	1112	1069	0.28
22	A"	1001	962	0.69
23	A"	982	944	0.82
24	A"	132	127	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.555	0.000
C2	-0.012	-0.206	1.313
C3	-0.012	-0.206	-1.313
H4	0.288	1.603	0.000
H5	-0.774	-1.002	1.297
H6	-0.774	-1.002	-1.297
H7	0.965	-0.691	1.501
H8	-0.225	0.461	2.161
H9	0.965	-0.691	-1.501
H10	-0.225	0.461	-2.161

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5176	1.5176	1.0903	2.1651	2.1651	2.1819	2.1733	2.1819	2.1733
C2	1.5176		2.6262	2.2554	1.1022	2.8335	1.1069	1.0994	3.0184	3.5438
C3	1.5176	2.6262		2.2554	2.8335	1.1022	3.0184	3.5438	1.1069	1.0994
H4	1.0903	2.2554	2.2554		3.0980	3.0980	2.8239	2.4972	2.8239	2.4972
H5	2.1651	1.1022	2.8335	3.0980		2.5946	1.7785	1.7856	3.3096	3.7950
H6	2.1651	2.8335	1.1022	3.0980	2.5946		3.3096	3.7950	1.7785	1.7856
H7	2.1819	1.1069	3.0184	2.8239	1.7785	3.3096		1.7823	3.0026	4.0191
H8	2.1733	1.0994	3.5438	2.4972	1.7856	3.7950	1.7823		4.0191	4.3217
H9	2.1819	3.0184	1.1069	2.8239	3.3096	1.7785	3.0026	4.0191		1.7823
H10	2.1733	3.5438	1.0994	2.4972	3.7950	1.7856	4.0191	4.3217	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.467	C1	C2	H7	111.518
C1	C2	H8	111.288	C1	C3	H6	110.467
C1	C3	H9	111.518	C1	C3	H10	111.288
C2	C1	C3	119.825	C2	C1	H4	118.812
C3	C1	H4	118.812	H5	C2	H7	107.236
H5	C2	H8	108.402	H6	C3	H9	107.236
H6	C3	H10	108.402	H7	C2	H8	107.771
H9	C3	H10	107.771

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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