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	hartrees
Energy at 0K	-157.637797
Energy at 298.15K	-157.646407
Nuclear repulsion energy	124.796366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	3052	23.54
2	A	3039	3016	79.59
3	A	3035	3012	55.92
4	A	2964	2941	22.18
5	A	2804	2783	43.76
6	A	1516	1504	7.54
7	A	1509	1498	5.64
8	A	1462	1451	0.72
9	A	1415	1405	1.84
10	A	1299	1289	4.52
11	A	1193	1184	2.14
12	A	1093	1084	1.43
13	A	963	956	1.52
14	A	788	782	0.03
15	A	534	530	29.19
16	A	414	411	13.78
17	A	356	353	0.31
18	A	251	249	0.04
19	A	3179	3155	28.54
20	A	3032	3009	1.16
21	A	3032	3009	25.64
22	A	2959	2936	45.80
23	A	1499	1488	1.65
24	A	1497	1486	1.25
25	A	1403	1392	2.80
26	A	1307	1297	2.20
27	A	1162	1153	0.74
28	A	959	952	0.05
29	A	947	940	1.31
30	A	893	886	0.52
31	A	373	370	0.09
32	A	228	227	0.01
33	A	110	110	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.359	0.000
C2	1.494	0.164	0.000
H3	-0.215	1.458	0.000
H4	2.060	0.150	0.936
H5	2.060	0.150	-0.936
C6	-0.660	-0.223	-1.287
C7	-0.660	-0.223	1.287
H8	-0.524	-1.318	-1.331
H9	-1.743	-0.009	-1.306
H10	-0.210	0.213	-2.196
H11	-0.524	-1.318	1.331
H12	-1.743	-0.009	1.306
H13	-0.210	0.213	2.196

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5071	1.1191	2.2726	2.2726	1.5592	1.5592	2.2044	2.2087	2.2109	2.2044	2.2087	2.2109
C2	1.5071		2.1439	1.0939	1.0939	2.5392	2.5392	2.8357	3.4950	2.7800	2.8357	3.4950	2.7800
H3	1.1191	2.1439		2.7866	2.7866	2.1628	2.1628	3.0935	2.4879	2.5242	3.0935	2.4879	2.5242
H4	2.2726	1.0939	2.7866		1.8722	3.5327	2.7678	3.7377	4.4175	3.8686	2.9975	3.8242	2.5967
H5	2.2726	1.0939	2.7866	1.8722		2.7678	3.5327	2.9975	3.8242	2.5967	3.7377	4.4175	3.8686
C6	1.5592	2.5392	2.1628	3.5327	2.7678		2.5742	1.1043	1.1039	1.1041	2.8415	2.8182	3.5391
C7	1.5592	2.5392	2.1628	2.7678	3.5327	2.5742		2.8415	2.8182	3.5391	1.1043	1.1039	1.1041
H8	2.2044	2.8357	3.0935	3.7377	2.9975	1.1043	2.8415		1.7887	1.7860	2.6627	3.1865	3.8581
H9	2.2087	3.4950	2.4879	4.4175	3.8242	1.1039	2.8182	1.7887		1.7868	3.1865	2.6118	3.8294
H10	2.2109	2.7800	2.5242	3.8686	2.5967	1.1041	3.5391	1.7860	1.7868		3.8581	3.8294	4.3922
H11	2.2044	2.8357	3.0935	2.9975	3.7377	2.8415	1.1043	2.6627	3.1865	3.8581		1.7887	1.7860
H12	2.2087	3.4950	2.4879	3.8242	4.4175	2.8182	1.1039	3.1865	2.6118	3.8294	1.7887		1.7868
H13	2.2109	2.7800	2.5242	2.5967	3.8686	3.5391	1.1041	3.8581	3.8294	4.3922	1.7860	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.968	C1	C2	H5	120.968
C1	C6	H8	110.553	C1	C6	H9	110.915
C1	C6	H10	111.071	C1	C7	H11	110.553
C1	C7	H12	110.915	C1	C7	H13	111.071
C2	C1	H3	108.539	C2	C1	C6	111.797
C2	C1	C7	111.797	H3	C1	C6	106.556
H3	C1	C7	106.556	H4	C2	H5	117.689
C6	C1	C7	111.277	H8	C6	H9	108.196
H8	C6	H10	107.943	H9	C6	H10	108.045
H11	C7	H12	108.196	H11	C7	H13	107.943
H12	C7	H13	108.045

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

using model chemistry: BLYP/6-31G

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	-0.071
2	C	-0.223
3	H	0.117
4	H	0.102
5	H	0.102
6	C	-0.362
7	C	-0.362
8	H	0.121
9	H	0.113
10	H	0.115
11	H	0.121
12	H	0.113
13	H	0.115

	x	y	z	Total
	-0.184	0.161	0.000	0.245
CHELPG
AIM
ESP

<r²>	96.666
(<r²>)^1/2	9.832

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

using model chemistry: BLYP/6-31G

States and conformations

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