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	hartrees
Energy at 0K	-118.113950
Energy at 298.15K	-118.120183
HF Energy	-117.644906
Nuclear repulsion energy	74.843948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	30.04
2	A'	3143	3143	18.65
3	A'	3088	3088	49.33
4	A'	3007	3007	39.23
5	A'	1491	1491	3.26
6	A'	1483	1483	11.30
7	A'	1419	1419	2.56
8	A'	1186	1186	1.85
9	A'	1043	1043	0.12
10	A'	902	902	1.58
11	A'	423	423	15.99
12	A'	355	355	4.99
13	A'	150	150	0.08
14	A"	3144	3144	22.41
15	A"	3087	3087	6.07
16	A"	3003	3003	27.98
17	A"	1482	1482	0.09
18	A"	1473	1473	1.51
19	A"	1431	1431	5.60
20	A"	1368	1368	3.75
21	A"	1165	1165	0.00
22	A"	943	943	0.49
23	A"	938	938	0.41
24	A"	121	121	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.547	0.000
C2	-0.014	-0.201	1.302
C3	-0.014	-0.201	-1.302
H4	0.312	1.595	0.000
H5	-0.769	-1.010	1.298
H6	-0.769	-1.010	-1.298
H7	0.968	-0.686	1.497
H8	-0.226	0.463	2.157
H9	0.968	-0.686	-1.497
H10	-0.226	0.463	-2.157

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5020	1.5020	1.0973	2.1632	2.1632	2.1739	2.1691	2.1739	2.1691
C2	1.5020		2.6043	2.2425	1.1064	2.8255	1.1121	1.1034	3.0058	3.5289
C3	1.5020	2.6043		2.2425	2.8255	1.1064	3.0058	3.5289	1.1121	1.1034
H4	1.0973	2.2425	2.2425		3.1047	3.1047	2.8060	2.4947	2.8060	2.4947
H5	2.1632	1.1064	2.8255	3.1047		2.5955	1.7782	1.7900	3.3066	3.7949
H6	2.1632	2.8255	1.1064	3.1047	2.5955		3.3066	3.7949	1.7782	1.7900
H7	2.1739	1.1121	3.0058	2.8060	1.7782	3.3066		1.7833	2.9944	4.0123
H8	2.1691	1.1034	3.5289	2.4947	1.7900	3.7949	1.7833		4.0123	4.3142
H9	2.1739	3.0058	1.1121	2.8060	3.3066	1.7782	2.9944	4.0123		1.7833
H10	2.1691	3.5289	1.1034	2.4947	3.7949	1.7900	4.0123	4.3142	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.154	C1	C2	H7	111.662
C1	C2	H8	111.815	C1	C3	H6	111.154
C1	C3	H9	111.662	C1	C3	H10	111.815
C2	C1	C3	120.209	C2	C1	H4	118.420
C3	C1	H4	118.420	H5	C2	H7	106.554
H5	C2	H8	108.196	H6	C3	H9	106.554
H6	C3	H10	108.196	H7	C2	H8	107.207
H9	C3	H10	107.207

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

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