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	hartrees
Energy at 0K	-118.046152
Energy at 298.15K	-118.052435
HF Energy	-117.656857
Nuclear repulsion energy	75.408731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3003	35.08
2	A'	3180	2942	23.93
3	A'	3127	2894	57.87
4	A'	3055	2827	46.98
5	A'	1561	1444	5.92
6	A'	1551	1435	17.60
7	A'	1486	1375	5.09
8	A'	1231	1139	2.59
9	A'	1085	1004	0.12
10	A'	915	847	1.92
11	A'	424	393	18.69
12	A'	359	332	10.09
13	A'	154	143	0.34
14	A"	3181	2943	27.92
15	A"	3126	2892	6.53
16	A"	3051	2823	26.36
17	A"	1550	1434	1.31
18	A"	1538	1423	1.86
19	A"	1488	1377	9.64
20	A"	1426	1319	1.60
21	A"	1188	1099	0.00
22	A"	987	913	0.53
23	A"	975	902	0.55
24	A"	121	112	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.544	0.000
C2	-0.013	-0.200	1.297
C3	-0.013	-0.200	-1.297
H4	0.298	1.581	0.000
H5	-0.778	-0.981	1.304
H6	-0.778	-0.981	-1.304
H7	0.947	-0.701	1.478
H8	-0.198	0.461	2.143
H9	0.947	-0.701	-1.478
H10	-0.198	0.461	-2.143

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4952	1.4952	1.0830	2.1474	2.1474	2.1575	2.1521	2.1575	2.1521
C2	1.4952		2.5933	2.2256	1.0927	2.8211	1.0979	1.0897	2.9781	3.5072
C3	1.4952	2.5933		2.2256	2.8211	1.0927	2.9781	3.5072	1.0979	1.0897
H4	1.0830	2.2256	2.2256		3.0699	3.0699	2.7950	2.4681	2.7950	2.4681
H5	2.1474	1.0927	2.8211	3.0699		2.6085	1.7565	1.7660	3.2854	3.7811
H6	2.1474	2.8211	1.0927	3.0699	2.6085		3.2854	3.7811	1.7565	1.7660
H7	2.1575	1.0979	2.9781	2.7950	1.7565	3.2854		1.7617	2.9552	3.9708
H8	2.1521	1.0897	3.5072	2.4681	1.7660	3.7811	1.7617		3.9708	4.2852
H9	2.1575	2.9781	1.0979	2.7950	3.2854	1.7565	2.9552	3.9708		1.7617
H10	2.1521	3.5072	1.0897	2.4681	3.7811	1.7660	3.9708	4.2852	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.201	C1	C2	H7	111.699
C1	C2	H8	111.768	C1	C3	H6	111.201
C1	C3	H9	111.699	C1	C3	H10	111.768
C2	C1	C3	120.272	C2	C1	H4	118.486
C3	C1	H4	118.486	H5	C2	H7	106.610
H5	C2	H8	108.028	H6	C3	H9	106.610
H6	C3	H10	108.028	H7	C2	H8	107.282
H9	C3	H10	107.282

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

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

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