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	hartrees
Energy at 0K	-157.261588
Energy at 298.15K	-157.270453
HF Energy	-156.680970
Nuclear repulsion energy	126.950491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3249	3036	16.02
2	A	3224	3013	51.01
3	A	3223	3012	36.31
4	A	3125	2920	13.62
5	A	3047	2847	28.87
6	A	1574	1471	6.58
7	A	1565	1463	3.93
8	A	1533	1432	0.73
9	A	1468	1371	2.57
10	A	1380	1290	3.64
11	A	1250	1168	0.44
12	A	1131	1057	1.11
13	A	1028	960	1.06
14	A	849	793	0.02
15	A	535	499	20.52
16	A	407	381	14.57
17	A	371	347	0.88
18	A	276	258	0.12
19	A	3365	3144	14.77
20	A	3222	3010	14.87
21	A	3221	3009	3.82
22	A	3123	2918	29.85
23	A	1555	1453	1.98
24	A	1551	1449	0.12
25	A	1451	1356	3.19
26	A	1389	1298	0.87
27	A	1230	1149	0.07
28	A	1008	942	0.03
29	A	977	913	0.67
30	A	940	879	0.51
31	A	379	354	0.12
32	A	247	231	0.00
33	A	161	150	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.359	0.000
C2	1.472	0.117	0.000
H3	-0.170	1.445	0.000
H4	2.031	0.148	0.922
H5	2.031	0.148	-0.922
C6	-0.652	-0.206	-1.260
C7	-0.652	-0.206	1.260
H8	-0.510	-1.285	-1.307
H9	-1.722	-0.004	-1.271
H10	-0.216	0.232	-2.156
H11	-0.510	-1.285	1.307
H12	-1.722	-0.004	1.271
H13	-0.216	0.232	2.156

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4915	1.0992	2.2404	2.2404	1.5275	1.5275	2.1615	2.1709	2.1709	2.1615	2.1709	2.1709
C2	1.4915		2.1119	1.0790	1.0790	2.4907	2.4907	2.7573	3.4394	2.7406	2.7573	3.4394	2.7406
H3	1.0992	2.1119		2.7163	2.7163	2.1324	2.1324	3.0459	2.4745	2.4745	3.0459	2.4745	2.4745
H4	2.2404	1.0790	2.7163		1.8446	3.4767	2.7272	3.6716	4.3494	3.8121	2.9426	3.7720	2.5646
H5	2.2404	1.0790	2.7163	1.8446		2.7272	3.4767	2.9426	3.7720	2.5646	3.6716	4.3494	3.8121
C6	1.5275	2.4907	2.1324	3.4767	2.7272		2.5207	1.0891	1.0888	1.0888	2.7885	2.7557	3.4723
C7	1.5275	2.4907	2.1324	2.7272	3.4767	2.5207		2.7885	2.7557	3.4723	1.0891	1.0888	1.0888
H8	2.1615	2.7573	3.0459	3.6716	2.9426	1.0891	2.7885		1.7635	1.7635	2.6142	3.1235	3.7927
H9	2.1709	3.4394	2.4745	4.3494	3.7720	1.0888	2.7557	1.7635		1.7630	3.1235	2.5422	3.7513
H10	2.1709	2.7406	2.4745	3.8121	2.5646	1.0888	3.4723	1.7635	1.7630		3.7927	3.7513	4.3128
H11	2.1615	2.7573	3.0459	2.9426	3.6716	2.7885	1.0891	2.6142	3.1235	3.7927		1.7635	1.7635
H12	2.1709	3.4394	2.4745	3.7720	4.3494	2.7557	1.0888	3.1235	2.5422	3.7513	1.7635		1.7630
H13	2.1709	2.7406	2.4745	2.5646	3.8121	3.4723	1.0888	3.7927	3.7513	4.3128	1.7635	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.440	C1	C2	H5	120.440
C1	C6	H8	110.269	C1	C6	H9	111.033
C1	C6	H10	111.033	C1	C7	H11	110.269
C1	C7	H12	111.033	C1	C7	H13	111.033
C2	C1	H3	108.259	C2	C1	C6	111.172
C2	C1	C7	111.172	H3	C1	C6	107.423
H3	C1	C7	107.423	H4	C2	H5	117.473
C6	C1	C7	111.199	H8	C6	H9	108.142
H8	C6	H10	108.142	H9	C6	H10	108.115
H11	C7	H12	108.142	H11	C7	H13	108.142
H12	C7	H13	108.115

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH2CH(CH3)2 (Isobutyl radical)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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