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	hartrees
Energy at 0K	-157.262885
Energy at 298.15K	-157.271621
Nuclear repulsion energy	125.930246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3051	17.32
2	A	3149	3020	42.44
3	A	3144	3015	44.40
4	A	3052	2927	17.21
5	A	2980	2858	24.81
6	A	1505	1443	7.57
7	A	1492	1431	5.02
8	A	1476	1415	3.06
9	A	1397	1339	4.04
10	A	1322	1268	3.92
11	A	1207	1158	0.23
12	A	1086	1042	0.84
13	A	997	956	0.54
14	A	832	798	0.04
15	A	527	506	30.22
16	A	406	389	13.83
17	A	361	346	0.57
18	A	267	256	0.22
19	A	3298	3163	12.48
20	A	3147	3018	14.92
21	A	3142	3013	6.39
22	A	3051	2926	33.69
23	A	1481	1420	2.55
24	A	1477	1417	0.00
25	A	1381	1324	4.45
26	A	1324	1270	0.54
27	A	1191	1142	0.21
28	A	980	939	0.00
29	A	939	900	0.60
30	A	903	866	0.34
31	A	372	357	0.21
32	A	234	224	0.00
33	A	134	128	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.363	0.000
C2	1.482	0.125	0.000
H3	-0.177	1.461	0.000
H4	2.047	0.130	0.935
H5	2.047	0.130	-0.935
C6	-0.656	-0.209	-1.267
C7	-0.656	-0.209	1.267
H8	-0.534	-1.304	-1.299
H9	-1.734	0.019	-1.289
H10	-0.199	0.213	-2.177
H11	-0.534	-1.304	1.299
H12	-1.734	0.019	1.289
H13	-0.199	0.213	2.177

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5007	1.1117	2.2622	2.2622	1.5373	1.5373	2.1803	2.1877	2.1910	2.1803	2.1877	2.1910
C2	1.5007		2.1293	1.0922	1.0922	2.5076	2.5076	2.7919	3.4660	2.7516	2.7919	3.4660	2.7516
H3	1.1117	2.1293		2.7548	2.7548	2.1500	2.1500	3.0758	2.4826	2.5090	3.0758	2.4826	2.5090
H4	2.2622	1.0922	2.7548		1.8693	3.5027	2.7444	3.7025	4.3876	3.8383	2.9750	3.7991	2.5679
H5	2.2622	1.0922	2.7548	1.8693		2.7444	3.5027	2.9750	3.7991	2.5679	3.7025	4.3876	3.8383
C6	1.5373	2.5076	2.1500	3.5027	2.7444		2.5343	1.1027	1.1020	1.1019	2.7932	2.7832	3.4996
C7	1.5373	2.5076	2.1500	2.7444	3.5027	2.5343		2.7932	2.7832	3.4996	1.1027	1.1020	1.1019
H8	2.1803	2.7919	3.0758	3.7025	2.9750	1.1027	2.7932		1.7866	1.7845	2.5987	3.1448	3.8076
H9	2.1877	3.4660	2.4826	4.3876	3.7991	1.1020	2.7832	1.7866		1.7839	3.1448	2.5774	3.7951
H10	2.1910	2.7516	2.5090	3.8383	2.5679	1.1019	3.4996	1.7845	1.7839		3.8076	3.7951	4.3535
H11	2.1803	2.7919	3.0758	2.9750	3.7025	2.7932	1.1027	2.5987	3.1448	3.8076		1.7866	1.7845
H12	2.1877	3.4660	2.4826	3.7991	4.3876	2.7832	1.1020	3.1448	2.5774	3.7951	1.7866		1.7839
H13	2.1910	2.7516	2.5090	2.5679	3.8383	3.4996	1.1019	3.8076	3.7951	4.3535	1.7845	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.673	C1	C2	H5	120.673
C1	C6	H8	110.262	C1	C6	H9	110.893
C1	C6	H10	111.156	C1	C7	H11	110.262
C1	C7	H12	110.893	C1	C7	H13	111.156
C2	C1	H3	108.272	C2	C1	C6	111.251
C2	C1	C7	111.251	H3	C1	C6	107.422
H3	C1	C7	107.422	H4	C2	H5	117.684
C6	C1	C7	111.029	H8	C6	H9	108.266
H8	C6	H10	108.079	H9	C6	H10	108.080
H11	C7	H12	108.266	H11	C7	H13	108.079
H12	C7	H13	108.080

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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