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	hartrees
Energy at 0K	-118.220112
Energy at 298.15K	-118.226320
HF Energy	-117.667018
Nuclear repulsion energy	75.173973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3193	3070
2	A'	3124	3003
3	A'	3068	2950
4	A'	2989	2874
5	A'	1504	1446
6	A'	1493	1436
7	A'	1425	1370
8	A'	1189	1144
9	A'	1052	1012
10	A'	896	862
11	A'	429	413
12	A'	355	341
13	A'	153	147
14	A"	3124	3004
15	A"	3068	2950
16	A"	2987	2872
17	A"	1494	1436
18	A"	1483	1426
19	A"	1432	1376
20	A"	1377	1324
21	A"	1163	1119
22	A"	944	908
23	A"	941	904
24	A"	99	95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.548	0.000
C2	-0.015	-0.201	1.298
C3	-0.015	-0.201	-1.298
H4	0.322	1.583	0.000
H5	-0.768	-1.001	1.290
H6	-0.768	-1.001	-1.290
H7	0.960	-0.686	1.486
H8	-0.222	0.459	2.148
H9	0.960	-0.686	-1.486
H10	-0.222	0.459	-2.148

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4987	1.4987	1.0881	2.1518	2.1518	2.1637	2.1597	2.1637	2.1597
C2	1.4987		2.5959	2.2317	1.0990	2.8112	1.1047	1.0960	2.9896	3.5146
C3	1.4987	2.5959		2.2317	2.8112	1.0990	2.9896	3.5146	1.1047	1.0960
H4	1.0881	2.2317	2.2317		3.0867	3.0867	2.7860	2.4844	2.7860	2.4844
H5	2.1518	1.0990	2.8112	3.0867		2.5790	1.7681	1.7795	3.2854	3.7743
H6	2.1518	2.8112	1.0990	3.0867	2.5790		3.2854	3.7743	1.7681	1.7795
H7	2.1637	1.1047	2.9896	2.7860	1.7681	3.2854		1.7734	2.9730	3.9895
H8	2.1597	1.0960	3.5146	2.4844	1.7795	3.7743	1.7734		3.9895	4.2958
H9	2.1637	2.9896	1.1047	2.7860	3.2854	1.7681	2.9730	3.9895		1.7734
H10	2.1597	3.5146	1.0960	2.4844	3.7743	1.7795	3.9895	4.2958	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.926	C1	C2	H7	111.528
C1	C2	H8	111.746	C1	C3	H6	110.926
C1	C3	H9	111.528	C1	C3	H10	111.746
C2	C1	C3	120.009	C2	C1	H4	118.386
C3	C1	H4	118.386	H5	C2	H7	106.710
H5	C2	H8	108.329	H6	C3	H9	106.710
H6	C3	H10	108.329	H7	C2	H8	107.381
H9	C3	H10	107.381

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

using model chemistry: MP4=FULL/6-311G**

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: MP4=FULL/6-311G**

States and conformations

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