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	hartrees
Energy at 0K	-118.047235
Energy at 298.15K	-118.053517
HF Energy	-117.635490
Nuclear repulsion energy	75.213448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3044	29.07
2	A'	3149	2981	21.27
3	A'	3098	2932	48.98
4	A'	3024	2862	33.64
5	A'	1550	1467	4.34
6	A'	1537	1455	12.84
7	A'	1473	1395	3.42
8	A'	1221	1156	2.78
9	A'	1081	1023	0.10
10	A'	912	863	1.66
11	A'	435	412	18.49
12	A'	363	344	6.50
13	A'	153	145	0.15
14	A"	3150	2981	22.24
15	A"	3097	2931	4.93
16	A"	3020	2859	23.34
17	A"	1540	1458	0.97
18	A"	1527	1446	1.29
19	A"	1476	1397	7.46
20	A"	1419	1343	2.20
21	A"	1187	1124	0.01
22	A"	980	928	0.64
23	A"	967	915	0.62
24	A"	128	121	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.543	0.000
C2	-0.013	-0.201	1.298
C3	-0.013	-0.201	-1.298
H4	0.301	1.585	0.000
H5	-0.767	-1.000	1.294
H6	-0.767	-1.000	-1.294
H7	0.960	-0.683	1.495
H8	-0.225	0.463	2.145
H9	0.960	-0.683	-1.495
H10	-0.225	0.463	-2.145

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4964	1.4964	1.0884	2.1505	2.1505	2.1647	2.1565	2.1647	2.1565
C2	1.4964		2.5968	2.2303	1.0987	2.8158	1.1038	1.0960	2.9971	3.5127
C3	1.4964	2.5968		2.2303	2.8158	1.0987	2.9971	3.5127	1.1038	1.0960
H4	1.0884	2.2303	2.2303		3.0821	3.0821	2.7954	2.4772	2.7954	2.4772
H5	2.1505	1.0987	2.8158	3.0821		2.5884	1.7672	1.7765	3.2957	3.7760
H6	2.1505	2.8158	1.0987	3.0821	2.5884		3.2957	3.7760	1.7672	1.7765
H7	2.1647	1.1038	2.9971	2.7954	1.7672	3.2957		1.7720	2.9899	3.9955
H8	2.1565	1.0960	3.5127	2.4772	1.7765	3.7760	1.7720		3.9955	4.2892
H9	2.1647	2.9971	1.1038	2.7954	3.2957	1.7672	2.9899	3.9955		1.7720
H10	2.1565	3.5127	1.0960	2.4772	3.7760	1.7765	3.9955	4.2892	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.998	C1	C2	H7	111.827
C1	C2	H8	111.652	C1	C3	H6	110.998
C1	C3	H9	111.827	C1	C3	H10	111.652
C2	C1	C3	120.377	C2	C1	H4	118.422
C3	C1	H4	118.422	H5	C2	H7	106.712
H5	C2	H8	108.094	H6	C3	H9	106.712
H6	C3	H10	108.094	H7	C2	H8	107.322
H9	C3	H10	107.322

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

using model chemistry: CCD/6-31G*

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/6-31G*

States and conformations

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