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	hartrees
Energy at 0K	-118.109096
Energy at 298.15K	-118.115383
HF Energy	-117.676468
Nuclear repulsion energy	75.662561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3075	25.97
2	A'	3171	3006	19.19
3	A'	3113	2951	42.03
4	A'	3030	2872	35.15
5	A'	1519	1440	4.91
6	A'	1501	1423	15.27
7	A'	1440	1365	4.16
8	A'	1205	1142	1.60
9	A'	1064	1009	0.47
10	A'	907	860	1.53
11	A'	446	423	23.90
12	A'	365	346	4.47
13	A'	169	160	0.16
14	A"	3172	3007	20.40
15	A"	3114	2952	5.33
16	A"	3028	2870	24.91
17	A"	1507	1429	0.57
18	A"	1490	1412	2.28
19	A"	1443	1368	8.77
20	A"	1394	1321	2.21
21	A"	1175	1114	0.13
22	A"	954	905	0.49
23	A"	952	903	0.56
24	A"	106	100	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.547	0.000
C2	-0.015	-0.200	1.288
C3	-0.015	-0.200	-1.288
H4	0.327	1.573	0.000
H5	-0.771	-0.988	1.283
H6	-0.771	-0.988	-1.283
H7	0.951	-0.692	1.469
H8	-0.210	0.454	2.137
H9	0.951	-0.692	-1.469
H10	-0.210	0.454	-2.137

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4888	1.4888	1.0816	2.1390	2.1390	2.1499	2.1482	2.1499	2.1482
C2	1.4888		2.5760	2.2179	1.0925	2.7938	1.0983	1.0895	2.9618	3.4926
C3	1.4888	2.5760		2.2179	2.7938	1.0925	2.9618	3.4926	1.0983	1.0895
H4	1.0816	2.2179	2.2179		3.0680	3.0680	2.7703	2.4714	2.7703	2.4714
H5	2.1390	1.0925	2.7938	3.0680		2.5666	1.7569	1.7677	3.2596	3.7544
H6	2.1390	2.7938	1.0925	3.0680	2.5666		3.2596	3.7544	1.7569	1.7677
H7	2.1499	1.0983	2.9618	2.7703	1.7569	3.2596		1.7624	2.9371	3.9574
H8	2.1482	1.0895	3.4926	2.4714	1.7677	3.7544	1.7624		3.9574	4.2746
H9	2.1499	2.9618	1.0983	2.7703	3.2596	1.7569	2.9371	3.9574		1.7624
H10	2.1482	3.4926	1.0895	2.4714	3.7544	1.7677	3.9574	4.2746	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.991	C1	C2	H7	111.515
C1	C2	H8	111.915	C1	C3	H6	110.991
C1	C3	H9	111.515	C1	C3	H10	111.915
C2	C1	C3	119.789	C2	C1	H4	118.422
C3	C1	H4	118.422	H5	C2	H7	106.638
H5	C2	H8	108.216	H6	C3	H9	106.638
H6	C3	H10	108.216	H7	C2	H8	107.327
H9	C3	H10	107.327

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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