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	hartrees
Energy at 0K	-116.826761
Energy at 298.15K	-116.832884
HF Energy	-116.778507
Nuclear repulsion energy	74.287091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3518	3518	3.47
2	A'	3482	3482	3.01
3	A'	3470	3470	4.17
4	A'	3320	3320	1.35
5	A'	1713	1713	2.76
6	A'	1704	1704	5.89
7	A'	1608	1608	1.22
8	A'	1295	1295	7.69
9	A'	1157	1157	1.53
10	A'	949	949	0.69
11	A'	476	476	7.59
12	A'	367	367	2.41
13	A'	137	137	0.12
14	A"	3515	3515	0.63
15	A"	3470	3470	0.33
16	A"	3319	3319	3.38
17	A"	1710	1710	0.20
18	A"	1699	1699	0.08
19	A"	1600	1600	1.70
20	A"	1515	1515	18.49
21	A"	1236	1236	0.02
22	A"	1058	1058	0.02
23	A"	1032	1032	0.74
24	A"	117	117	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	0.552	0.000
C2	-0.017	-0.205	1.323
C3	-0.017	-0.205	-1.323
H4	0.390	1.572	0.000
H5	-0.724	-1.049	1.292
H6	-0.724	-1.049	-1.292
H7	0.982	-0.620	1.555
H8	-0.301	0.457	2.155
H9	0.982	-0.620	-1.555
H10	-0.301	0.457	-2.155

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.5246	1.5246	1.0981	2.1757	2.1757	2.1883	2.1761	2.1883	2.1761
C2	1.5246		2.6461	2.2529	1.1011	2.8376	1.1058	1.1007	3.0745	3.5521
C3	1.5246	2.6461		2.2529	2.8376	1.1011	3.0745	3.5521	1.1058	1.1007
H4	1.0981	2.2529	2.2529		3.1275	3.1275	2.7520	2.5235	2.7520	2.5235
H5	2.1757	1.1011	2.8376	3.1275		2.5848	1.7783	1.7858	3.3469	3.7856
H6	2.1757	2.8376	1.1011	3.1275	2.5848		3.3469	3.7856	1.7783	1.7858
H7	2.1883	1.1058	3.0745	2.7520	1.7783	3.3469		1.7791	3.1101	4.0708
H8	2.1761	1.1007	3.5521	2.5235	1.7858	3.7856	1.7791		4.0708	4.3105
H9	2.1883	3.0745	1.1058	2.7520	3.3469	1.7783	3.1101	4.0708		1.7791
H10	2.1761	3.5521	1.1007	2.5235	3.7856	1.7858	4.0708	4.3105	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.889	C1	C2	H7	111.608
C1	C2	H8	110.937	C1	C3	H6	110.889
C1	C3	H9	111.608	C1	C3	H10	110.937
C2	C1	C3	120.410	C2	C1	H4	117.490
C3	C1	H4	117.490	H5	C2	H7	107.375
H5	C2	H8	108.400	H6	C3	H9	107.375
H6	C3	H10	108.400	H7	C2	H8	107.469
H9	C3	H10	107.469

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

using model chemistry: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

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