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	hartrees
Energy at 0K	-27.614997
Energy at 298.15K	-27.623754
HF Energy	-27.142967
Nuclear repulsion energy	72.489191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3027	23.33
2	A	3179	3019	71.45
3	A	3175	3015	57.29
4	A	3077	2921	18.77
5	A	3043	2889	37.21
6	A	1541	1463	10.79
7	A	1530	1453	4.99
8	A	1501	1425	2.47
9	A	1446	1373	5.83
10	A	1358	1290	4.80
11	A	1234	1171	1.43
12	A	1114	1058	3.02
13	A	1015	964	2.03
14	A	839	796	0.11
15	A	528	502	43.43
16	A	401	381	27.95
17	A	363	344	1.11
18	A	269	255	0.29
19	A	3302	3135	24.93
20	A	3176	3015	8.50
21	A	3173	3012	14.89
22	A	3075	2920	44.33
23	A	1519	1442	3.06
24	A	1515	1439	0.01
25	A	1435	1362	6.30
26	A	1364	1295	0.37
27	A	1212	1150	0.84
28	A	995	945	0.14
29	A	958	909	1.41
30	A	923	877	1.25
31	A	368	349	0.10
32	A	238	226	0.00
33	A	158	150	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.368	0.000
C2	1.494	0.108	0.000
H3	-0.166	1.467	0.000
H4	2.063	0.154	0.936
H5	2.063	0.154	-0.936
C6	-0.662	-0.208	-1.274
C7	-0.662	-0.208	1.274
H8	-0.543	-1.307	-1.307
H9	-1.743	0.025	-1.291
H10	-0.204	0.217	-2.186
H11	-0.543	-1.307	1.307
H12	-1.743	0.025	1.291
H13	-0.204	0.217	2.186

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5166	1.1120	2.2753	2.2753	1.5471	1.5471	2.1921	2.1958	2.2008	2.1921	2.1958	2.2008
C2	1.5166		2.1458	1.0960	1.0960	2.5246	2.5246	2.8031	3.4860	2.7704	2.8031	3.4860	2.7704
H3	1.1120	2.1458		2.7513	2.7513	2.1624	2.1624	3.0892	2.4967	2.5188	3.0892	2.4967	2.5188
H4	2.2753	1.0960	2.7513		1.8717	3.5271	2.7696	3.7350	4.4112	3.8587	3.0096	3.8244	2.5896
H5	2.2753	1.0960	2.7513	1.8717		2.7696	3.5271	3.0096	3.8244	2.5896	3.7350	4.4112	3.8587
C6	1.5471	2.5246	2.1624	3.5271	2.7696		2.5484	1.1054	1.1056	1.1054	2.8077	2.7931	3.5162
C7	1.5471	2.5246	2.1624	2.7696	3.5271	2.5484		2.8077	2.7931	3.5162	1.1054	1.1056	1.1054
H8	2.1921	2.8031	3.0892	3.7350	3.0096	1.1054	2.8077		1.7924	1.7909	2.6139	3.1561	3.8257
H9	2.1958	3.4860	2.4967	4.4112	3.8244	1.1056	2.7931	1.7924		1.7906	3.1561	2.5817	3.8071
H10	2.2008	2.7704	2.5188	3.8587	2.5896	1.1054	3.5162	1.7909	1.7906		3.8257	3.8071	4.3722
H11	2.1921	2.8031	3.0892	3.0096	3.7350	2.8077	1.1054	2.6139	3.1561	3.8257		1.7924	1.7909
H12	2.1958	3.4860	2.4967	3.8244	4.4112	2.7931	1.1056	3.1561	2.5817	3.8071	1.7924		1.7906
H13	2.2008	2.7704	2.5188	2.5896	3.8587	3.5162	1.1054	3.8257	3.8071	4.3722	1.7909	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.266	C1	C2	H5	120.266
C1	C6	H8	110.363	C1	C6	H9	110.639
C1	C6	H10	111.047	C1	C7	H11	110.363
C1	C7	H12	110.639	C1	C7	H13	111.047
C2	C1	H3	108.455	C2	C1	C6	110.974
C2	C1	C7	110.974	H3	C1	C6	107.700
H3	C1	C7	107.700	H4	C2	H5	117.273
C6	C1	C7	110.892	H8	C6	H9	108.323
H8	C6	H10	108.207	H9	C6	H10	108.168
H11	C7	H12	108.323	H11	C7	H13	108.207
H12	C7	H13	108.168

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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