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	hartrees
Energy at 0K	-118.043684
Energy at 298.15K	-118.049969
HF Energy	-117.656877
Nuclear repulsion energy	75.421437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3022	33.73
2	A'	3186	2960	23.35
3	A'	3134	2912	56.63
4	A'	3062	2845	43.80
5	A'	1562	1451	6.09
6	A'	1552	1442	18.06
7	A'	1487	1382	5.27
8	A'	1232	1145	2.70
9	A'	1086	1009	0.11
10	A'	917	852	1.94
11	A'	425	395	18.74
12	A'	359	333	10.24
13	A'	155	144	0.35
14	A"	3187	2961	26.52
15	A"	3133	2911	5.95
16	A"	3058	2841	26.50
17	A"	1551	1441	1.34
18	A"	1539	1430	1.96
19	A"	1490	1384	10.00
20	A"	1427	1326	1.45
21	A"	1190	1105	0.00
22	A"	988	918	0.50
23	A"	976	907	0.60
24	A"	121	113	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.013	0.544	0.000
C2	-0.013	-0.201	1.297
C3	-0.013	-0.201	-1.297
H4	0.298	1.581	0.000
H5	-0.779	-0.980	1.304
H6	-0.779	-0.980	-1.304
H7	0.946	-0.701	1.476
H8	-0.197	0.461	2.142
H9	0.946	-0.701	-1.476
H10	-0.197	0.461	-2.142

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4952	1.4952	1.0826	2.1471	2.1471	2.1569	2.1519	2.1569	2.1519
C2	1.4952		2.5931	2.2253	1.0924	2.8210	1.0974	1.0894	2.9768	3.5068
C3	1.4952	2.5931		2.2253	2.8210	1.0924	2.9768	3.5068	1.0974	1.0894
H4	1.0826	2.2253	2.2253		3.0690	3.0690	2.7945	2.4677	2.7945	2.4677
H5	2.1471	1.0924	2.8210	3.0690		2.6089	1.7561	1.7653	3.2845	3.7808
H6	2.1471	2.8210	1.0924	3.0690	2.6089		3.2845	3.7808	1.7561	1.7653
H7	2.1569	1.0974	2.9768	2.7945	1.7561	3.2845		1.7612	2.9529	3.9692
H8	2.1519	1.0894	3.5068	2.4677	1.7653	3.7808	1.7612		3.9692	4.2847
H9	2.1569	2.9768	1.0974	2.7945	3.2845	1.7561	2.9529	3.9692		1.7612
H10	2.1519	3.5068	1.0894	2.4677	3.7808	1.7653	3.9692	4.2847	1.7612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.196	C1	C2	H7	111.683
C1	C2	H8	111.766	C1	C3	H6	111.196
C1	C3	H9	111.683	C1	C3	H10	111.766
C2	C1	C3	120.254	C2	C1	H4	118.492
C3	C1	H4	118.492	H5	C2	H7	106.634
H5	C2	H8	108.016	H6	C3	H9	106.634
H6	C3	H10	108.016	H7	C2	H8	107.296
H9	C3	H10	107.296

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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