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	hartrees
Energy at 0K	-118.361373
Energy at 298.15K	-118.355247
HF Energy	-118.489046
Nuclear repulsion energy	75.303526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3059	29.25
2	A'	3091	2983	20.92
3	A'	3033	2927	44.74
4	A'	2948	2845	47.63
5	A'	1490	1438	3.23
6	A'	1480	1428	9.28
7	A'	1412	1363	2.18
8	A'	1178	1136	2.95
9	A'	1034	998	0.07
10	A'	883	852	1.45
11	A'	414	400	15.02
12	A'	363	350	5.13
13	A'	123	119	0.05
14	A"	3092	2984	24.35
15	A"	3031	2925	9.09
16	A"	2943	2840	26.13
17	A"	1479	1428	0.22
18	A"	1469	1418	0.66
19	A"	1405	1356	4.92
20	A"	1368	1320	5.41
21	A"	1151	1111	0.14
22	A"	941	908	1.64
23	A"	936	904	0.00
24	A"	112	108	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.012	0.533	0.000
C2	-0.012	-0.197	1.300
C3	-0.012	-0.197	-1.300
H4	0.237	1.590	0.000
H5	-0.717	-1.038	1.290
H6	-0.717	-1.038	-1.290
H7	0.977	-0.631	1.536
H8	-0.275	0.457	2.137
H9	0.977	-0.631	-1.536
H10	-0.275	0.457	-2.137

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10
C1		1.4906	1.4906	1.0861	2.1519	2.1519	2.1657	2.1547	2.1657	2.1547
C2	1.4906		2.5998	2.2237	1.0979	2.8134	1.1048	1.0947	3.0343	3.5087
C3	1.4906	2.5998		2.2237	2.8134	1.0979	3.0343	3.5087	1.1048	1.0947
H4	1.0861	2.2237	2.2237		3.0794	3.0794	2.8001	2.4724	2.8001	2.4724
H5	2.1519	1.0979	2.8134	3.0794		2.5808	1.7588	1.7746	3.3199	3.7658
H6	2.1519	2.8134	1.0979	3.0794	2.5808		3.3199	3.7658	1.7588	1.7746
H7	2.1657	1.1048	3.0343	2.8001	1.7588	3.3199		1.7640	3.0721	4.0303
H8	2.1547	1.0947	3.5087	2.4724	1.7746	3.7658	1.7640		4.0303	4.2745
H9	2.1657	3.0343	1.1048	2.8001	3.3199	1.7588	3.0721	4.0303		1.7640
H10	2.1547	3.5087	1.0947	2.4724	3.7658	1.7746	4.0303	4.2745	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	111.563	C1	C2	H7	112.249
C1	C2	H8	112.017	C1	C3	H6	111.563
C1	C3	H9	112.249	C1	C3	H10	112.017
C2	C1	C3	121.339	C2	C1	H4	118.498
C3	C1	H4	118.498	H5	C2	H7	105.942
H5	C2	H8	108.062	H6	C3	H9	105.942
H6	C3	H10	108.062	H7	C2	H8	106.662
H9	C3	H10	106.662

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

using model chemistry: G4

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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Number	Element	Mulliken
1	C	-0.030
2	C	-0.387
3	C	-0.387
4	H	0.091
5	H	0.117
6	H	0.117
7	H	0.119
8	H	0.120
9	H	0.119
10	H	0.120

	x	y	z	Total
	0.158	-0.107	0.000	0.191
CHELPG
AIM
ESP

<r²>	61.542
(<r²>)^1/2	7.845

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

using model chemistry: G4

States and conformations

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