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	hartrees
Energy at 0K	-118.293482
Energy at 298.15K	-118.299685
HF Energy	-117.679644
Nuclear repulsion energy	75.768015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3221	3101
2	A'	3118	3002
3	A'	3062	2948
4	A'	2989	2878
5	A'	1509	1453
6	A'	1501	1446
7	A'	1419	1367
8	A'	1191	1147
9	A'	1043	1004
10	A'	901	867
11	A'	422	406
12	A'	359	345
13	A'	139	134
14	A"	3118	3002
15	A"	3062	2948
16	A"	2987	2876
17	A"	1499	1443
18	A"	1490	1435
19	A"	1429	1376
20	A"	1378	1327
21	A"	1166	1123
22	A"	947	912
23	A"	940	905
24	A"	107	103

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.544	0.000
C2	-0.013	-0.200	1.287
C3	-0.013	-0.200	-1.287
H4	0.273	1.582	0.000
H5	-0.747	-1.006	1.272
H6	-0.747	-1.006	-1.272
H7	0.960	-0.667	1.483
H8	-0.235	0.448	2.132
H9	0.960	-0.667	-1.483
H10	-0.235	0.448	-2.132

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4866	1.4866	1.0765	2.1355	2.1355	2.1479	2.1455	2.1479	2.1455
C2	1.4866		2.5747	2.2164	1.0909	2.7821	1.0967	1.0874	2.9735	3.4871
C3	1.4866	2.5747		2.2164	2.7821	1.0909	2.9735	3.4871	1.0967	1.0874
H4	1.0765	2.2164	2.2164		3.0588	3.0588	2.7806	2.4672	2.7806	2.4672
H5	2.1355	1.0909	2.7821	3.0588		2.5440	1.7526	1.7655	3.2587	3.7368
H6	2.1355	2.7821	1.0909	3.0588	2.5440		3.2587	3.7368	1.7526	1.7655
H7	2.1479	1.0967	2.9735	2.7806	1.7526	3.2587		1.7588	2.9668	3.9677
H8	2.1455	1.0874	3.4871	2.4672	1.7655	3.7368	1.7588		3.9677	4.2635
H9	2.1479	2.9735	1.0967	2.7806	3.2587	1.7526	2.9668	3.9677		1.7588
H10	2.1455	3.4871	1.0874	2.4672	3.7368	1.7655	3.9677	4.2635	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.958	C1	C2	H7	111.601
C1	C2	H8	111.986	C1	C3	H6	110.958
C1	C3	H9	111.601	C1	C3	H10	111.986
C2	C1	C3	119.982	C2	C1	H4	118.831
C3	C1	H4	118.831	H5	C2	H7	106.483
H5	C2	H8	108.293	H6	C3	H9	106.483
H6	C3	H10	108.293	H7	C2	H8	107.269
H9	C3	H10	107.269

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

using model chemistry: MP4=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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