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	hartrees
Energy at 0K	-156.040457
Energy at 298.15K	-156.049124
Nuclear repulsion energy	126.705126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3076	3020	10.17
2	A	3065	3010	29.20
3	A	3063	3008	21.93
4	A	2978	2924	12.02
5	A	2838	2787	17.09
6	A	1508	1481	15.77
7	A	1498	1471	13.42
8	A	1433	1407	4.33
9	A	1391	1366	14.53
10	A	1286	1263	2.44
11	A	1202	1181	2.82
12	A	1086	1067	2.31
13	A	985	968	5.59
14	A	832	817	0.36
15	A	524	515	39.46
16	A	401	394	19.49
17	A	358	352	0.95
18	A	268	263	0.15
19	A	3187	3130	9.67
20	A	3063	3008	4.00
21	A	3061	3006	8.04
22	A	2977	2923	20.78
23	A	1485	1459	4.88
24	A	1481	1454	1.60
25	A	1379	1354	24.10
26	A	1291	1268	0.78
27	A	1174	1153	0.71
28	A	975	958	0.01
29	A	942	925	2.36
30	A	903	887	2.98
31	A	372	366	0.04
32	A	237	233	0.02
33	A	123	121	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.274	0.251	0.000
C2	0.874	1.182	0.000
H3	-1.229	0.838	0.000
H4	1.267	1.579	0.942
H5	1.267	1.579	-0.942
C6	-0.274	-0.625	-1.253
C7	-0.274	-0.625	1.253
H8	0.634	-1.254	-1.258
H9	-1.161	-1.285	-1.270
H10	-0.277	-0.008	-2.170
H11	0.634	-1.254	1.258
H12	-1.161	-1.285	1.270
H13	-0.277	-0.008	2.170

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4781	1.1205	2.2424	2.2424	1.5290	1.5290	2.1620	2.1808	2.1853	2.1620	2.1808	2.1853
C2	1.4781		2.1300	1.0954	1.0954	2.4807	2.4807	2.7525	3.4402	2.7288	2.7525	3.4402	2.7288
H3	1.1205	2.1300		2.7684	2.7684	2.1500	2.1500	3.0712	2.4748	2.5161	3.0712	2.4748	2.5161
H4	2.2424	1.0954	2.7684		1.8838	3.4720	2.7078	3.6430	4.3576	3.8190	2.9208	3.7688	2.5317
H5	2.2424	1.0954	2.7684	1.8838		2.7078	3.4720	2.9208	3.7688	2.5317	3.6430	4.3576	3.8190
C6	1.5290	2.4807	2.1500	3.4720	2.7078		2.5067	1.1054	1.1049	1.1050	2.7440	2.7546	3.4785
C7	1.5290	2.4807	2.1500	2.7078	3.4720	2.5067		2.7440	2.7546	3.4785	1.1054	1.1049	1.1050
H8	2.1620	2.7525	3.0712	3.6430	2.9208	1.1054	2.7440		1.7951	1.7931	2.5162	3.1006	3.7597
H9	2.1808	3.4402	2.4748	4.3576	3.7688	1.1049	2.7546	1.7951		1.7950	3.1006	2.5400	3.7743
H10	2.1853	2.7288	2.5161	3.8190	2.5317	1.1050	3.4785	1.7931	1.7950		3.7597	3.7743	4.3399
H11	2.1620	2.7525	3.0712	2.9208	3.6430	2.7440	1.1054	2.5162	3.1006	3.7597		1.7951	1.7931
H12	2.1808	3.4402	2.4748	3.7688	4.3576	2.7546	1.1049	3.1006	2.5400	3.7743	1.7951		1.7950
H13	2.1853	2.7288	2.5161	2.5317	3.8190	3.4785	1.1050	3.7597	3.7743	4.3399	1.7931	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.500	C1	C2	H5	120.500
C1	C6	H8	109.251	C1	C6	H9	110.754
C1	C6	H10	111.100	C1	C7	H11	109.251
C1	C7	H12	110.754	C1	C7	H13	111.100
C2	C1	H3	109.332	C2	C1	C6	111.150
C2	C1	C7	111.150	H3	C1	C6	107.478
H3	C1	C7	107.478	H4	C2	H5	118.597
C6	C1	C7	110.111	H8	C6	H9	108.616
H8	C6	H10	108.422	H9	C6	H10	108.634
H11	C7	H12	108.616	H11	C7	H13	108.422
H12	C7	H13	108.634

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

using model chemistry: LSDA/3-21G*

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	-0.335
2	C	-0.351
3	H	0.229
4	H	0.195
5	H	0.195
6	C	-0.598
7	C	-0.598
8	H	0.215
9	H	0.208
10	H	0.209
11	H	0.215
12	H	0.208
13	H	0.209

	x	y	z	Total
	-0.238	-0.039	0.000	0.241
CHELPG
AIM
ESP

	x	y	z
x	5.818	0.825	0.000
y	0.825	5.843	0.000
z	0.000	0.000	6.403

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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