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	hartrees
Energy at 0K	-156.157003
Energy at 298.15K	-156.165837
HF Energy	-155.802166
Nuclear repulsion energy	125.543948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3035	15.08
2	A	3159	3016	48.60
3	A	3152	3010	35.75
4	A	3078	2939	10.72
5	A	3018	2881	20.36
6	A	1610	1537	9.12
7	A	1604	1531	4.81
8	A	1544	1474	0.38
9	A	1493	1425	4.08
10	A	1386	1324	2.26
11	A	1251	1194	2.30
12	A	1154	1102	2.12
13	A	990	945	1.22
14	A	809	773	0.03
15	A	524	500	20.49
16	A	408	390	20.48
17	A	377	360	1.09
18	A	271	259	0.17
19	A	3288	3140	16.40
20	A	3155	3012	3.61
21	A	3149	3007	13.91
22	A	3076	2937	25.91
23	A	1594	1522	2.78
24	A	1592	1520	0.30
25	A	1478	1411	5.89
26	A	1398	1334	0.86
27	A	1216	1161	0.69
28	A	1008	963	0.02
29	A	1001	956	1.65
30	A	937	894	0.86
31	A	386	369	0.01
32	A	249	237	0.00
33	A	135	129	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.377	0.000
C2	1.491	0.124	0.000
H3	-0.185	1.465	0.000
H4	2.050	0.150	0.929
H5	2.050	0.150	-0.929
C6	-0.661	-0.216	-1.275
C7	-0.661	-0.216	1.275
H8	-0.518	-1.301	-1.292
H9	-1.735	-0.001	-1.283
H10	-0.212	0.211	-2.179
H11	-0.518	-1.301	1.292
H12	-1.735	-0.001	1.283
H13	-0.212	0.211	2.179

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5119	1.1033	2.2625	2.2625	1.5534	1.5534	2.1805	2.1912	2.1952	2.1805	2.1912	2.1952
C2	1.5119		2.1459	1.0851	1.0851	2.5237	2.5237	2.7812	3.4741	2.7662	2.7812	3.4741	2.7662
H3	1.1033	2.1459		2.7549	2.7549	2.1622	2.1622	3.0711	2.4899	2.5137	3.0711	2.4899	2.5137
H4	2.2625	1.0851	2.7549		1.8583	3.5130	2.7574	3.6926	4.3874	3.8443	2.9720	3.8053	2.5849
H5	2.2625	1.0851	2.7549	1.8583		2.7574	3.5130	2.9720	3.8053	2.5849	3.6926	4.3874	3.8443
C6	1.5534	2.5237	2.1622	3.5130	2.7574		2.5495	1.0954	1.0957	1.0959	2.7907	2.7828	3.5086
C7	1.5534	2.5237	2.1622	2.7574	3.5130	2.5495		2.7907	2.7828	3.5086	1.0954	1.0957	1.0959
H8	2.1805	2.7812	3.0711	3.6926	2.9720	1.0954	2.7907		1.7812	1.7798	2.5840	3.1312	3.7983
H9	2.1912	3.4741	2.4899	4.3874	3.8053	1.0957	2.7828	1.7812		1.7801	3.1312	2.5664	3.7883
H10	2.1952	2.7662	2.5137	3.8443	2.5849	1.0959	3.5086	1.7798	1.7801		3.7983	3.7883	4.3573
H11	2.1805	2.7812	3.0711	2.9720	3.6926	2.7907	1.0954	2.5840	3.1312	3.7983		1.7812	1.7798
H12	2.1912	3.4741	2.4899	3.8053	4.3874	2.7828	1.0957	3.1312	2.5664	3.7883	1.7812		1.7801
H13	2.1952	2.7662	2.5137	2.5849	3.8443	3.5086	1.0959	3.7983	3.7883	4.3573	1.7798	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.309	C1	C2	H5	120.309
C1	C6	H8	109.607	C1	C6	H9	110.422
C1	C6	H10	110.729	C1	C7	H11	109.607
C1	C7	H12	110.422	C1	C7	H13	110.729
C2	C1	H3	109.286	C2	C1	C6	110.829
C2	C1	C7	110.829	H3	C1	C6	107.744
H3	C1	C7	107.744	H4	C2	H5	117.812
C6	C1	C7	110.300	H8	C6	H9	108.769
H8	C6	H10	108.633	H9	C6	H10	108.631
H11	C7	H12	108.769	H11	C7	H13	108.633
H12	C7	H13	108.631

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

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

using model chemistry: MP2=FULL/3-21G

States and conformations

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