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	hartrees
Energy at 0K	-117.246163
Energy at 298.15K	-117.252504
HF Energy	-116.985458
Nuclear repulsion energy	74.870921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3079	26.02
2	A'	3149	3007	17.25
3	A'	3103	2962	40.52
4	A'	3033	2896	26.24
5	A'	1602	1529	5.30
6	A'	1590	1518	13.23
7	A'	1503	1435	4.94
8	A'	1240	1184	5.05
9	A'	1112	1062	0.96
10	A'	866	827	1.09
11	A'	440	420	19.84
12	A'	366	350	8.06
13	A'	154	147	0.09
14	A"	3149	3007	19.69
15	A"	3101	2961	4.35
16	A"	3032	2895	15.45
17	A"	1592	1520	1.50
18	A"	1579	1508	0.54
19	A"	1487	1420	4.01
20	A"	1436	1371	8.84
21	A"	1140	1088	0.57
22	A"	1014	969	0.81
23	A"	997	951	1.01
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	0.321	1.586	0.000
H5	-0.771	-0.999	1.289
H6	-0.771	-0.999	-1.289
H7	0.960	-0.686	1.496
H8	-0.228	0.458	2.152
H9	0.960	-0.686	-1.496
H10	-0.228	0.458	-2.152

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5116	1.5116	1.0854	2.1555	2.1555	2.1731	2.1645	2.1731	2.1645
C2	1.5116		2.6147	2.2427	1.0973	2.8190	1.1020	1.0949	3.0065	3.5287
C3	1.5116	2.6147		2.2427	2.8190	1.0973	3.0065	3.5287	1.1020	1.0949
H4	1.0854	2.2427	2.2427		3.0882	3.0882	2.7945	2.4908	2.7945	2.4908
H5	2.1555	1.0973	2.8190	3.0882		2.5787	1.7710	1.7780	3.2945	3.7761
H6	2.1555	2.8190	1.0973	3.0882	2.5787		3.2945	3.7761	1.7710	1.7780
H7	2.1731	1.1020	3.0065	2.7945	1.7710	3.2945		1.7746	2.9925	4.0035
H8	2.1645	1.0949	3.5287	2.4908	1.7780	3.7761	1.7746		4.0035	4.3036
H9	2.1731	3.0065	1.1020	2.7945	3.2945	1.7710	2.9925	4.0035		1.7746
H10	2.1645	3.5287	1.0949	2.4908	3.7761	1.7780	4.0035	4.3036	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.421	C1	C2	H7	111.543
C1	C2	H8	111.287	C1	C3	H6	110.421
C1	C3	H9	111.543	C1	C3	H10	111.287
C2	C1	C3	119.746	C2	C1	H4	118.522
C3	C1	H4	118.522	H5	C2	H7	107.273
H5	C2	H8	108.404	H6	C3	H9	107.273
H6	C3	H10	108.404	H7	C2	H8	107.755
H9	C3	H10	107.755

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)