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	hartrees
Energy at 0K	-157.322379
Energy at 298.15K	-157.331152
HF Energy	-156.688107
Nuclear repulsion energy	126.769893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3043	11.04
2	A	3195	3018	35.06
3	A	3194	3017	24.85
4	A	3099	2927	10.67
5	A	3025	2857	20.70
6	A	1542	1456	7.28
7	A	1532	1447	4.72
8	A	1492	1409	1.26
9	A	1431	1352	3.50
10	A	1348	1273	3.94
11	A	1227	1159	0.66
12	A	1108	1047	1.78
13	A	1011	955	1.54
14	A	840	794	0.10
15	A	519	490	21.76
16	A	401	379	15.33
17	A	360	340	0.56
18	A	273	258	0.17
19	A	3337	3152	8.02
20	A	3193	3015	0.79
21	A	3192	3015	12.92
22	A	3097	2926	23.23
23	A	1521	1437	2.24
24	A	1517	1433	0.15
25	A	1416	1337	4.40
26	A	1354	1279	0.84
27	A	1209	1142	0.22
28	A	993	938	0.04
29	A	955	902	0.88
30	A	920	869	0.75
31	A	370	350	0.06
32	A	242	229	0.00
33	A	147	139	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.364	0.000
C2	1.473	0.124	0.000
H3	-0.178	1.450	0.000
H4	2.032	0.143	0.925
H5	2.032	0.143	-0.925
C6	-0.652	-0.209	-1.260
C7	-0.652	-0.209	1.260
H8	-0.525	-1.294	-1.294
H9	-1.721	0.009	-1.282
H10	-0.203	0.210	-2.162
H11	-0.525	-1.294	1.294
H12	-1.721	0.009	1.282
H13	-0.203	0.210	2.162

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4921	1.1014	2.2434	2.2434	1.5299	1.5299	2.1669	2.1753	2.1774	2.1669	2.1753	2.1774
C2	1.4921		2.1180	1.0812	1.0812	2.4925	2.4925	2.7703	3.4436	2.7370	2.7703	3.4436	2.7370
H3	1.1014	2.1180		2.7295	2.7295	2.1369	2.1369	3.0534	2.4702	2.4930	3.0534	2.4702	2.4930
H4	2.2434	1.0812	2.7295		1.8505	3.4787	2.7274	3.6777	4.3560	3.8121	2.9560	3.7724	2.5552
H5	2.2434	1.0812	2.7295	1.8505		2.7274	3.4787	2.9560	3.7724	2.5552	3.6777	4.3560	3.8121
C6	1.5299	2.4925	2.1369	3.4787	2.7274		2.5200	1.0922	1.0917	1.0917	2.7773	2.7662	3.4772
C7	1.5299	2.4925	2.1369	2.7274	3.4787	2.5200		2.7773	2.7662	3.4772	1.0922	1.0917	1.0917
H8	2.1669	2.7703	3.0534	3.6777	2.9560	1.0922	2.7773		1.7684	1.7662	2.5874	3.1240	3.7828
H9	2.1753	3.4436	2.4702	4.3560	3.7724	1.0917	2.7662	1.7684		1.7669	3.1240	2.5634	3.7694
H10	2.1774	2.7370	2.4930	3.8121	2.5552	1.0917	3.4772	1.7662	1.7669		3.7828	3.7694	4.3249
H11	2.1669	2.7703	3.0534	2.9560	3.6777	2.7773	1.0922	2.5874	3.1240	3.7828		1.7684	1.7662
H12	2.1753	3.4436	2.4702	3.7724	4.3560	2.7662	1.0917	3.1240	2.5634	3.7694	1.7684		1.7669
H13	2.1774	2.7370	2.4930	2.5552	3.8121	3.4772	1.0917	3.7828	3.7694	4.3249	1.7662	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.499	C1	C2	H5	120.499
C1	C6	H8	110.345	C1	C6	H9	111.039
C1	C6	H10	111.204	C1	C7	H11	110.345
C1	C7	H12	111.039	C1	C7	H13	111.204
C2	C1	H3	108.564	C2	C1	C6	111.128
C2	C1	C7	111.128	H3	C1	C6	107.483
H3	C1	C7	107.483	H4	C2	H5	117.686
C6	C1	C7	110.887	H8	C6	H9	108.141
H8	C6	H10	107.947	H9	C6	H10	108.045
H11	C7	H12	108.141	H11	C7	H13	107.947
H12	C7	H13	108.045

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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