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	hartrees
Energy at 0K	-157.717892
Energy at 298.15K	-157.726547
Nuclear repulsion energy	126.823590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3142	3016	19.94
2	A	3121	2997	50.38
3	A	3118	2994	55.22
4	A	3043	2921	20.32
5	A	2923	2806	31.02
6	A	1504	1444	8.50
7	A	1496	1436	8.80
8	A	1455	1397	2.63
9	A	1401	1346	4.96
10	A	1311	1259	2.94
11	A	1203	1155	0.80
12	A	1081	1038	1.20
13	A	987	948	1.51
14	A	824	792	0.08
15	A	524	503	29.69
16	A	398	382	13.53
17	A	346	332	0.48
18	A	250	240	0.04
19	A	3248	3118	17.68
20	A	3119	2995	17.36
21	A	3116	2991	5.88
22	A	3040	2918	38.08
23	A	1486	1426	2.78
24	A	1481	1421	0.30
25	A	1387	1332	6.65
26	A	1319	1266	0.52
27	A	1183	1136	0.35
28	A	971	932	0.00
29	A	936	898	0.82
30	A	900	864	0.68
31	A	360	346	0.20
32	A	225	216	0.00
33	A	141	135	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.266	0.232	0.000
C2	0.857	1.203	0.000
H3	-1.211	0.803	0.000
H4	1.222	1.626	0.928
H5	1.222	1.626	-0.928
C6	-0.266	-0.630	-1.262
C7	-0.266	-0.630	1.262
H8	0.636	-1.244	-1.306
H9	-1.131	-1.296	-1.282
H10	-0.296	-0.012	-2.162
H11	0.636	-1.244	1.306
H12	-1.131	-1.296	1.282
H13	-0.296	-0.012	2.162

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4847	1.1044	2.2408	2.2408	1.5284	1.5284	2.1673	2.1743	2.1763	2.1673	2.1743	2.1763
C2	1.4847		2.1067	1.0832	1.0832	2.4926	2.4926	2.7818	3.4411	2.7351	2.7818	3.4411	2.7351
H3	1.1044	2.1067		2.7314	2.7314	2.1308	2.1308	3.0511	2.4615	2.4857	3.0511	2.4615	2.4857
H4	2.2408	1.0832	2.7314		1.8551	3.4788	2.7236	3.6836	4.3547	3.8128	2.9536	3.7690	2.5523
H5	2.2408	1.0832	2.7314	1.8551		2.7236	3.4788	2.9536	3.7690	2.5523	3.6836	4.3547	3.8128
C6	1.5284	2.4926	2.1308	3.4788	2.7236		2.5248	1.0925	1.0919	1.0919	2.7907	2.7692	3.4801
C7	1.5284	2.4926	2.1308	2.7236	3.4788	2.5248		2.7907	2.7692	3.4801	1.0925	1.0919	1.0919
H8	2.1673	2.7818	3.0511	3.6836	2.9536	1.0925	2.7907		1.7682	1.7660	2.6119	3.1347	3.7967
H9	2.1743	3.4411	2.4615	4.3547	3.7690	1.0919	2.7692	1.7682		1.7664	3.1347	2.5650	3.7700
H10	2.1763	2.7351	2.4857	3.8128	2.5523	1.0919	3.4801	1.7660	1.7664		3.7967	3.7700	4.3247
H11	2.1673	2.7818	3.0511	2.9536	3.6836	2.7907	1.0925	2.6119	3.1347	3.7967		1.7682	1.7660
H12	2.1743	3.4411	2.4615	3.7690	4.3547	2.7692	1.0919	3.1347	2.5650	3.7700	1.7682		1.7664
H13	2.1763	2.7351	2.4857	2.5523	3.8128	3.4801	1.0919	3.7967	3.7700	4.3247	1.7660	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.724	C1	C2	H5	120.724
C1	C6	H8	110.470	C1	C6	H9	111.057
C1	C6	H10	111.219	C1	C7	H11	110.470
C1	C7	H12	111.057	C1	C7	H13	111.219
C2	C1	H3	108.010	C2	C1	C6	111.629
C2	C1	C7	111.629	H3	C1	C6	106.958
H3	C1	C7	106.958	H4	C2	H5	117.810
C6	C1	C7	111.372	H8	C6	H9	108.091
H8	C6	H10	107.900	H9	C6	H10	107.977
H11	C7	H12	108.091	H11	C7	H13	107.900
H12	C7	H13	107.977

All results from a given calculation for CH₂CH(CH₃)₂ (Isobutyl radical)

using model chemistry: B1B95/6-311G**

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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Number	Element	Mulliken
1	C	-0.256
2	C	-0.226
3	H	0.146
4	H	0.121
5	H	0.121
6	C	-0.319
7	C	-0.319
8	H	0.123
9	H	0.120
10	H	0.123
11	H	0.123
12	H	0.120
13	H	0.123

	x	y	z	Total
	-0.294	0.008	0.000	0.294
CHELPG
AIM
ESP

	x	y	z
x	6.563	0.717	0.000
y	0.717	6.884	0.000
z	0.000	0.000	7.343

<r²>	94.097
(<r²>)^1/2	9.700

All results from a given calculation for CH2CH(CH3)2 (Isobutyl radical)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₂CH(CH₃)₂ (Isobutyl radical)