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	hartrees
Energy at 0K	-118.125728
Energy at 298.15K	-118.131970
HF Energy	-117.649040
Nuclear repulsion energy	75.293481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3222	3092
2	A'	3158	3031
3	A'	3099	2973
4	A'	3018	2896
5	A'	1529	1468
6	A'	1516	1454
7	A'	1453	1394
8	A'	1206	1157
9	A'	1064	1021
10	A'	901	864
11	A'	425	408
12	A'	356	342
13	A'	155	149
14	A"	3159	3031
15	A"	3099	2973
16	A"	3015	2893
17	A"	1519	1458
18	A"	1506	1445
19	A"	1455	1396
20	A"	1401	1344
21	A"	1170	1123
22	A"	961	922
23	A"	953	915
24	A"	114	110

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.546	0.000
C2	-0.013	-0.201	1.298
C3	-0.013	-0.201	-1.298
H4	0.298	1.586	0.000
H5	-0.773	-0.990	1.294
H6	-0.773	-0.990	-1.294
H7	0.953	-0.695	1.482
H8	-0.210	0.460	2.144
H9	0.953	-0.695	-1.482
H10	-0.210	0.460	-2.144

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4976	1.4976	1.0852	2.1476	2.1476	2.1616	2.1548	2.1616	2.1548
C2	1.4976		2.5953	2.2304	1.0952	2.8135	1.1008	1.0920	2.9844	3.5102
C3	1.4976	2.5953		2.2304	2.8135	1.0952	2.9844	3.5102	1.1008	1.0920
H4	1.0852	2.2304	2.2304		3.0754	3.0754	2.7980	2.4745	2.7980	2.4745
H5	2.1476	1.0952	2.8135	3.0754		2.5878	1.7612	1.7727	3.2825	3.7735
H6	2.1476	2.8135	1.0952	3.0754	2.5878		3.2825	3.7735	1.7612	1.7727
H7	2.1616	1.1008	2.9844	2.7980	1.7612	3.2825		1.7678	2.9649	3.9799
H8	2.1548	1.0920	3.5102	2.4745	1.7727	3.7735	1.7678		3.9799	4.2881
H9	2.1616	2.9844	1.1008	2.7980	3.2825	1.7612	2.9649	3.9799		1.7678
H10	2.1548	3.5102	1.0920	2.4745	3.7735	1.7727	3.9799	4.2881	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.895	C1	C2	H7	111.676
C1	C2	H8	111.674	C1	C3	H6	110.895
C1	C3	H9	111.676	C1	C3	H10	111.674
C2	C1	C3	120.106	C2	C1	H4	118.568
C3	C1	H4	118.568	H5	C2	H7	106.642
H5	C2	H8	108.284	H6	C3	H9	106.642
H6	C3	H10	108.284	H7	C2	H8	107.446
H9	C3	H10	107.446

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31+G**

States and conformations

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