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	hartrees
Energy at 0K	-156.847032
Energy at 298.15K	-156.855719
Nuclear repulsion energy	126.655019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3092	3029	13.49
2	A	3076	3014	36.90
3	A	3072	3010	38.53
4	A	2978	2918	18.41
5	A	2814	2757	29.11
6	A	1488	1458	13.17
7	A	1479	1449	13.64
8	A	1431	1402	5.19
9	A	1389	1360	12.21
10	A	1297	1270	2.07
11	A	1206	1181	1.46
12	A	1084	1062	2.17
13	A	991	971	4.61
14	A	839	822	0.23
15	A	553	542	41.37
16	A	411	403	14.49
17	A	354	347	0.44
18	A	258	253	0.09
19	A	3206	3141	15.29
20	A	3074	3012	10.71
21	A	3070	3007	5.90
22	A	2977	2916	30.94
23	A	1467	1437	4.39
24	A	1462	1433	1.70
25	A	1376	1348	19.97
26	A	1294	1268	0.78
27	A	1183	1159	0.28
28	A	978	958	0.01
29	A	934	915	1.58
30	A	900	882	2.43
31	A	369	362	0.13
32	A	229	225	0.02
33	A	135	132	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.267	0.237	0.000
C2	0.852	1.202	0.000
H3	-1.232	0.810	0.000
H4	1.245	1.604	0.940
H5	1.245	1.604	-0.940
C6	-0.267	-0.627	-1.257
C7	-0.267	-0.627	1.257
H8	0.643	-1.255	-1.282
H9	-1.146	-1.296	-1.280
H10	-0.279	-0.009	-2.172
H11	0.643	-1.255	1.282
H12	-1.146	-1.296	1.280
H13	-0.279	-0.009	2.172

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4773	1.1227	2.2452	2.2452	1.5250	1.5250	2.1673	2.1820	2.1854	2.1673	2.1820	2.1854
C2	1.4773		2.1201	1.0958	1.0958	2.4852	2.4852	2.7788	3.4451	2.7312	2.7788	3.4451	2.7312
H3	1.1227	2.1201		2.7663	2.7663	2.1395	2.1395	3.0701	2.4664	2.5088	3.0701	2.4664	2.5088
H4	2.2452	1.0958	2.7663		1.8802	3.4774	2.7143	3.6708	4.3658	3.8221	2.9414	3.7745	2.5381
H5	2.2452	1.0958	2.7663	1.8802		2.7143	3.4774	2.9414	3.7745	2.5381	3.6708	4.3658	3.8221
C6	1.5250	2.4852	2.1395	3.4774	2.7143		2.5130	1.1057	1.1048	1.1048	2.7691	2.7665	3.4836
C7	1.5250	2.4852	2.1395	2.7143	3.4774	2.5130		2.7691	2.7665	3.4836	1.1057	1.1048	1.1048
H8	2.1673	2.7788	3.0701	3.6708	2.9414	1.1057	2.7691		1.7898	1.7874	2.5648	3.1256	3.7861
H9	2.1820	3.4451	2.4664	4.3658	3.7745	1.1048	2.7665	1.7898		1.7901	3.1256	2.5599	3.7845
H10	2.1854	2.7312	2.5088	3.8221	2.5381	1.1048	3.4836	1.7874	1.7901		3.7861	3.7845	4.3432
H11	2.1673	2.7788	3.0701	2.9414	3.6708	2.7691	1.1057	2.5648	3.1256	3.7861		1.7898	1.7874
H12	2.1820	3.4451	2.4664	3.7745	4.3658	2.7665	1.1048	3.1256	2.5599	3.7845	1.7898		1.7901
H13	2.1854	2.7312	2.5088	2.5381	3.8221	3.4836	1.1048	3.7861	3.7845	4.3432	1.7874	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.796	C1	C2	H5	120.796
C1	C6	H8	109.918	C1	C6	H9	111.134
C1	C6	H10	111.405	C1	C7	H11	109.918
C1	C7	H12	111.134	C1	C7	H13	111.405
C2	C1	H3	108.491	C2	C1	C6	111.726
C2	C1	C7	111.726	H3	C1	C6	106.827
H3	C1	C7	106.827	H4	C2	H5	118.164
C6	C1	C7	110.965	H8	C6	H9	108.130
H8	C6	H10	107.913	H9	C6	H10	108.221
H11	C7	H12	108.130	H11	C7	H13	107.913
H12	C7	H13	108.221

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

using model chemistry: LSDA/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	-0.151
2	C	-0.295
3	H	0.172
4	H	0.143
5	H	0.143
6	C	-0.492
7	C	-0.492
8	H	0.166
9	H	0.159
10	H	0.162
11	H	0.166
12	H	0.159
13	H	0.162

	x	y	z	Total
	-0.273	-0.056	0.000	0.279
CHELPG
AIM
ESP

	x	y	z
x	6.158	0.843	0.000
y	0.843	6.259	0.000
z	0.000	0.000	6.749

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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