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	hartrees
Energy at 0K	-157.637779
Energy at 298.15K	-157.630639
HF Energy	-157.800032
Nuclear repulsion energy	126.159492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3142	3032	16.32
2	A	3102	2994	54.49
3	A	3100	2992	46.32
4	A	3031	2925	17.43
5	A	2901	2799	33.14
6	A	1511	1458	5.40
7	A	1502	1449	4.08
8	A	1466	1415	0.97
9	A	1412	1362	1.33
10	A	1316	1270	4.76
11	A	1205	1163	0.91
12	A	1090	1052	1.49
13	A	983	949	0.87
14	A	813	784	0.02
15	A	519	501	20.97
16	A	400	386	12.75
17	A	355	342	0.56
18	A	256	247	0.08
19	A	3245	3131	15.86
20	A	3099	2990	18.34
21	A	3096	2988	3.35
22	A	3026	2920	34.05
23	A	1491	1439	1.61
24	A	1488	1436	0.28
25	A	1396	1347	1.64
26	A	1329	1282	1.83
27	A	1181	1140	0.32
28	A	968	934	0.00
29	A	943	910	0.92
30	A	904	872	0.25
31	A	371	358	0.11
32	A	231	223	0.00
33	A	127	122	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.354	0.000
C2	1.479	0.148	0.000
H3	-0.196	1.444	0.000
H4	2.040	0.148	0.928
H5	2.040	0.148	-0.928
C6	-0.653	-0.215	-1.271
C7	-0.653	-0.215	1.271
H8	-0.526	-1.302	-1.320
H9	-1.727	0.001	-1.293
H10	-0.205	0.215	-2.173
H11	-0.526	-1.302	1.320
H12	-1.727	0.001	1.293
H13	-0.205	0.215	2.173

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4932	1.1072	2.2509	2.2509	1.5382	1.5382	2.1819	2.1855	2.1869	2.1819	2.1855	2.1869
C2	1.4932		2.1180	1.0848	1.0848	2.5088	2.5088	2.8043	3.4595	2.7498	2.8043	3.4595	2.7498
H3	1.1072	2.1180		2.7466	2.7466	2.1390	2.1390	3.0641	2.4684	2.4962	3.0641	2.4684	2.4962
H4	2.2509	1.0848	2.7466		1.8566	3.4963	2.7394	3.7068	4.3752	3.8292	2.9733	3.7871	2.5680
H5	2.2509	1.0848	2.7466	1.8566		2.7394	3.4963	2.9733	3.7871	2.5680	3.7068	4.3752	3.8292
C6	1.5382	2.5088	2.1390	3.4963	2.7394		2.5420	1.0956	1.0949	1.0949	2.8124	2.7876	3.4994
C7	1.5382	2.5088	2.1390	2.7394	3.4963	2.5420		2.8124	2.7876	3.4994	1.0956	1.0949	1.0949
H8	2.1819	2.8043	3.0641	3.7068	2.9733	1.0956	2.8124		1.7721	1.7697	2.6393	3.1565	3.8211
H9	2.1855	3.4595	2.4684	4.3752	3.7871	1.0949	2.7876	1.7721		1.7706	3.1565	2.5853	3.7908
H10	2.1869	2.7498	2.4962	3.8292	2.5680	1.0949	3.4994	1.7697	1.7706		3.8211	3.7908	4.3456
H11	2.1819	2.8043	3.0641	2.9733	3.7068	2.8124	1.0956	2.6393	3.1565	3.8211		1.7721	1.7697
H12	2.1855	3.4595	2.4684	3.7871	4.3752	2.7876	1.0949	3.1565	2.5853	3.7908	1.7721		1.7706
H13	2.1869	2.7498	2.4962	2.5680	3.8292	3.4994	1.0949	3.8211	3.7908	4.3456	1.7697	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.700	C1	C2	H5	120.700
C1	C6	H8	110.682	C1	C6	H9	111.076
C1	C6	H10	111.262	C1	C7	H11	110.682
C1	C7	H12	111.076	C1	C7	H13	111.262
C2	C1	H3	107.847	C2	C1	C6	111.508
C2	C1	C7	111.508	H3	C1	C6	107.077
H3	C1	C7	107.077	H4	C2	H5	117.689
C6	C1	C7	111.548	H8	C6	H9	108.001
H8	C6	H10	107.807	H9	C6	H10	107.870
H11	C7	H12	108.001	H11	C7	H13	107.807
H12	C7	H13	107.870

All results from a given calculation for CH₂CH(CH₃)₂ (Isobutyl 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	0.071
2	C	-0.285
3	H	0.084
4	H	0.109
5	H	0.109
6	C	-0.379
7	C	-0.379
8	H	0.116
9	H	0.109
10	H	0.111
11	H	0.116
12	H	0.109
13	H	0.111

	x	y	z	Total
	-0.165	0.176	0.000	0.241
CHELPG
AIM
ESP

<r²>	94.786
(<r²>)^1/2	9.736

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

using model chemistry: G4

States and conformations

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