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	hartrees
Energy at 0K	-117.246164
Energy at 298.15K	-117.252498
HF Energy	-116.985459
Nuclear repulsion energy	74.871816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3057	26.08
2	A'	3149	2986	17.15
3	A'	3103	2941	40.51
4	A'	3034	2876	26.26
5	A'	1602	1518	5.27
6	A'	1590	1508	13.26
7	A'	1503	1424	4.96
8	A'	1240	1176	5.05
9	A'	1112	1054	0.96
10	A'	866	821	1.09
11	A'	441	418	20.02
12	A'	366	347	7.84
13	A'	155	147	0.09
14	A"	3150	2986	19.74
15	A"	3102	2940	4.36
16	A"	3032	2874	15.36
17	A"	1592	1509	1.51
18	A"	1579	1497	0.54
19	A"	1487	1410	4.02
20	A"	1436	1361	8.83
21	A"	1139	1080	0.57
22	A"	1014	962	0.80
23	A"	996	945	1.00
24	A"	141	134	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.554	0.000
C2	-0.014	-0.205	1.307
C3	-0.014	-0.205	-1.307
H4	0.324	1.586	0.000
H5	-0.773	-0.997	1.290
H6	-0.773	-0.997	-1.290
H7	0.959	-0.688	1.494
H8	-0.225	0.459	2.152
H9	0.959	-0.688	-1.494
H10	-0.225	0.459	-2.152

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5116	1.5116	1.0854	2.1556	2.1556	2.1730	2.1647	2.1730	2.1647
C2	1.5116		2.6144	2.2427	1.0973	2.8196	1.1020	1.0949	3.0044	3.5288
C3	1.5116	2.6144		2.2427	2.8196	1.0973	3.0044	3.5288	1.1020	1.0949
H4	1.0854	2.2427	2.2427		3.0882	3.0882	2.7944	2.4907	2.7944	2.4907
H5	2.1556	1.0973	2.8196	3.0882		2.5804	1.7710	1.7780	3.2934	3.7774
H6	2.1556	2.8196	1.0973	3.0882	2.5804		3.2934	3.7774	1.7710	1.7780
H7	2.1730	1.1020	3.0044	2.7944	1.7710	3.2934		1.7746	2.9881	4.0014
H8	2.1647	1.0949	3.5288	2.4907	1.7780	3.7774	1.7746		4.0014	4.3045
H9	2.1730	3.0044	1.1020	2.7944	3.2934	1.7710	2.9881	4.0014		1.7746
H10	2.1647	3.5288	1.0949	2.4907	3.7774	1.7780	4.0014	4.3045	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.421	C1	C2	H7	111.528
C1	C2	H8	111.293	C1	C3	H6	110.421
C1	C3	H9	111.528	C1	C3	H10	111.293
C2	C1	C3	119.710	C2	C1	H4	118.512
C3	C1	H4	118.512	H5	C2	H7	107.274
H5	C2	H8	108.406	H6	C3	H9	107.274
H6	C3	H10	108.406	H7	C2	H8	107.762
H9	C3	H10	107.762

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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