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	hartrees
Energy at 0K	-118.116433
Energy at 298.15K	-118.122656
HF Energy	-117.644679
Nuclear repulsion energy	74.759505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3191	3086
2	A'	3134	3030
3	A'	3077	2976
4	A'	2994	2895
5	A'	1481	1432
6	A'	1474	1425
7	A'	1406	1360
8	A'	1178	1139
9	A'	1036	1002
10	A'	897	867
11	A'	428	414
12	A'	354	342
13	A'	152	147
14	A"	3135	3031
15	A"	3078	2976
16	A"	2991	2892
17	A"	1473	1424
18	A"	1464	1415
19	A"	1420	1373
20	A"	1358	1313
21	A"	1160	1121
22	A"	933	902
23	A"	929	899
24	A"	118	114

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	0.549	0.000
C2	-0.015	-0.202	1.303
C3	-0.015	-0.202	-1.303
H4	0.326	1.594	0.000
H5	-0.770	-1.013	1.295
H6	-0.770	-1.013	-1.295
H7	0.970	-0.685	1.498
H8	-0.229	0.462	2.160
H9	0.970	-0.685	-1.498
H10	-0.229	0.462	-2.160

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5036	1.5036	1.0988	2.1652	2.1652	2.1767	2.1723	2.1767	2.1723
C2	1.5036		2.6054	2.2443	1.1083	2.8243	1.1141	1.1053	3.0082	3.5322
C3	1.5036	2.6054		2.2443	2.8243	1.1083	3.0082	3.5322	1.1141	1.1053
H4	1.0988	2.2443	2.2443		3.1104	3.1104	2.8022	2.5008	2.8022	2.5008
H5	2.1652	1.1083	2.8243	3.1104		2.5901	1.7815	1.7936	3.3069	3.7956
H6	2.1652	2.8243	1.1083	3.1104	2.5901		3.3069	3.7956	1.7815	1.7936
H7	2.1767	1.1141	3.0082	2.8022	1.7815	3.3069		1.7864	2.9968	4.0171
H8	2.1723	1.1053	3.5322	2.5008	1.7936	3.7956	1.7864		4.0171	4.3199
H9	2.1767	3.0082	1.1141	2.8022	3.3069	1.7815	2.9968	4.0171		1.7864
H10	2.1723	3.5322	1.1053	2.5008	3.7956	1.7936	4.0171	4.3199	1.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.084	C1	C2	H7	111.649
C1	C2	H8	111.840	C1	C3	H6	111.084
C1	C3	H9	111.649	C1	C3	H10	111.840
C2	C1	C3	120.082	C2	C1	H4	118.340
C3	C1	H4	118.340	H5	C2	H7	106.568
H5	C2	H8	108.250	H6	C3	H9	106.568
H6	C3	H10	108.250	H7	C2	H8	107.203
H9	C3	H10	107.203

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

using model chemistry: MP4/cc-pVDZ

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/cc-pVDZ

States and conformations

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