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	hartrees
Energy at 0K	-118.151863
Energy at 298.15K	-118.158116
HF Energy	-117.676458
Nuclear repulsion energy	75.456223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3055	28.61
2	A'	3146	2982	23.74
3	A'	3092	2931	49.69
4	A'	3017	2860	42.00
5	A'	1524	1444	4.26
6	A'	1506	1428	13.04
7	A'	1453	1377	2.95
8	A'	1209	1146	1.32
9	A'	1069	1013	0.81
10	A'	901	854	1.39
11	A'	435	412	21.71
12	A'	362	343	5.18
13	A'	161	152	0.20
14	A"	3146	2983	25.24
15	A"	3091	2930	6.00
16	A"	3014	2857	25.23
17	A"	1513	1434	0.61
18	A"	1495	1418	1.79
19	A"	1453	1378	5.97
20	A"	1400	1327	3.54
21	A"	1169	1108	0.01
22	A"	962	912	0.60
23	A"	957	907	0.20
24	A"	100	94	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	0.546	0.000
C2	-0.014	-0.201	1.294
C3	-0.014	-0.201	-1.294
H4	0.309	1.579	0.000
H5	-0.769	-0.992	1.290
H6	-0.769	-0.992	-1.290
H7	0.954	-0.687	1.479
H8	-0.215	0.458	2.140
H9	0.954	-0.687	-1.479
H10	-0.215	0.458	-2.140

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4938	1.4938	1.0828	2.1446	2.1446	2.1553	2.1515	2.1553	2.1515
C2	1.4938		2.5881	2.2240	1.0938	2.8062	1.0992	1.0908	2.9774	3.5026
C3	1.4938	2.5881		2.2240	2.8062	1.0938	2.9774	3.5026	1.0992	1.0908
H4	1.0828	2.2240	2.2240		3.0721	3.0721	2.7820	2.4726	2.7820	2.4726
H5	2.1446	1.0938	2.8062	3.0721		2.5803	1.7600	1.7694	3.2759	3.7651
H6	2.1446	2.8062	1.0938	3.0721	2.5803		3.2759	3.7651	1.7600	1.7694
H7	2.1553	1.0992	2.9774	2.7820	1.7600	3.2759		1.7650	2.9584	3.9723
H8	2.1515	1.0908	3.5026	2.4726	1.7694	3.7651	1.7650		3.9723	4.2806
H9	2.1553	2.9774	1.0992	2.7820	3.2759	1.7600	2.9584	3.9723		1.7650
H10	2.1515	3.5026	1.0908	2.4726	3.7651	1.7694	3.9723	4.2806	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.006	C1	C2	H7	111.535
C1	C2	H8	111.754	C1	C3	H6	111.006
C1	C3	H9	111.535	C1	C3	H10	111.754
C2	C1	C3	120.058	C2	C1	H4	118.475
C3	C1	H4	118.475	H5	C2	H7	106.745
H5	C2	H8	108.177	H6	C3	H9	106.745
H6	C3	H10	108.177	H7	C2	H8	107.398
H9	C3	H10	107.398

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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