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	hartrees
Energy at 0K	-118.113655
Energy at 298.15K	-118.119926
HF Energy	-117.649121
Nuclear repulsion energy	75.354024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3061	32.33
2	A'	3171	2998	23.51
3	A'	3113	2943	50.89
4	A'	3035	2869	46.30
5	A'	1539	1455	4.58
6	A'	1526	1442	12.75
7	A'	1465	1385	2.73
8	A'	1215	1149	1.23
9	A'	1072	1013	0.61
10	A'	907	858	1.49
11	A'	426	403	23.12
12	A'	359	339	8.49
13	A'	157	148	0.28
14	A"	3172	2999	27.02
15	A"	3113	2943	7.31
16	A"	3032	2866	28.09
17	A"	1529	1446	0.96
18	A"	1516	1433	1.04
19	A"	1467	1387	6.61
20	A"	1411	1334	3.50
21	A"	1177	1113	0.01
22	A"	970	917	0.79
23	A"	961	909	0.13
24	A"	122	115	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.545	0.000
C2	-0.013	-0.201	1.297
C3	-0.013	-0.201	-1.297
H4	0.296	1.584	0.000
H5	-0.772	-0.989	1.295
H6	-0.772	-0.989	-1.295
H7	0.952	-0.694	1.482
H8	-0.209	0.460	2.142
H9	0.952	-0.694	-1.482
H10	-0.209	0.460	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4965	1.4965	1.0839	2.1463	2.1463	2.1595	2.1531	2.1595	2.1531
C2	1.4965		2.5943	2.2282	1.0940	2.8137	1.0994	1.0909	2.9831	3.5080
C3	1.4965	2.5943		2.2282	2.8137	1.0940	2.9831	3.5080	1.0994	1.0909
H4	1.0839	2.2282	2.2282		3.0722	3.0722	2.7958	2.4716	2.7958	2.4716
H5	2.1463	1.0940	2.8137	3.0722		2.5903	1.7593	1.7703	3.2823	3.7727
H6	2.1463	2.8137	1.0940	3.0722	2.5903		3.2823	3.7727	1.7593	1.7703
H7	2.1595	1.0994	2.9831	2.7958	1.7593	3.2823		1.7654	2.9643	3.9772
H8	2.1531	1.0909	3.5080	2.4716	1.7703	3.7727	1.7654		3.9772	4.2848
H9	2.1595	2.9831	1.0994	2.7958	3.2823	1.7593	2.9643	3.9772		1.7654
H10	2.1531	3.5080	1.0909	2.4716	3.7727	1.7703	3.9772	4.2848	1.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.947	C1	C2	H7	111.676
C1	C2	H8	111.682	C1	C3	H6	110.947
C1	C3	H9	111.676	C1	C3	H10	111.682
C2	C1	C3	120.181	C2	C1	H4	118.552
C3	C1	H4	118.552	H5	C2	H7	106.656
H5	C2	H8	108.242	H6	C3	H9	106.656
H6	C3	H10	108.242	H7	C2	H8	107.411
H9	C3	H10	107.411

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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