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	hartrees
Energy at 0K	-157.285681
Energy at 298.15K	-157.294439
HF Energy	-156.693766
Nuclear repulsion energy	126.105603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3135	3001	17.96
2	A	3108	2976	64.79
3	A	3107	2975	49.03
4	A	3032	2903	17.25
5	A	2946	2821	33.08
6	A	1542	1476	11.27
7	A	1532	1467	5.92
8	A	1490	1427	2.44
9	A	1449	1387	6.75
10	A	1359	1301	3.09
11	A	1230	1178	0.99
12	A	1115	1068	1.14
13	A	1006	963	0.75
14	A	834	798	0.02
15	A	523	501	25.31
16	A	402	385	21.09
17	A	369	354	2.27
18	A	267	256	0.22
19	A	3237	3099	18.77
20	A	3105	2973	22.11
21	A	3103	2971	2.39
22	A	3028	2899	35.69
23	A	1521	1456	3.21
24	A	1517	1453	0.15
25	A	1435	1374	8.11
26	A	1370	1312	0.30
27	A	1208	1156	0.34
28	A	990	948	0.03
29	A	958	917	0.61
30	A	925	885	0.48
31	A	380	363	0.12
32	A	233	223	0.00
33	A	137	131	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.360	0.000
C2	1.483	0.122	0.000
H3	-0.177	1.453	0.000
H4	2.047	0.132	0.930
H5	2.047	0.132	-0.930
C6	-0.656	-0.207	-1.267
C7	-0.656	-0.207	1.267
H8	-0.529	-1.296	-1.312
H9	-1.731	0.013	-1.285
H10	-0.209	0.223	-2.172
H11	-0.529	-1.296	1.312
H12	-1.731	0.013	1.285
H13	-0.209	0.223	2.172

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.5015	1.1075	2.2601	2.2601	1.5356	1.5356	2.1780	2.1835	2.1865	2.1780	2.1835	2.1865
C2	1.5015		2.1271	1.0880	1.0880	2.5078	2.5078	2.7896	3.4626	2.7549	2.7896	3.4626	2.7549
H3	1.1075	2.1271		2.7489	2.7489	2.1428	2.1428	3.0666	2.4780	2.4965	3.0666	2.4780	2.4965
H4	2.2601	1.0880	2.7489		1.8598	3.5002	2.7455	3.7021	4.3811	3.8369	2.9708	3.7967	2.5772
H5	2.2601	1.0880	2.7489	1.8598		2.7455	3.5002	2.9708	3.7967	2.5772	3.7021	4.3811	3.8369
C6	1.5356	2.5078	2.1428	3.5002	2.7455		2.5347	1.0975	1.0971	1.0971	2.8027	2.7780	3.4950
C7	1.5356	2.5078	2.1428	2.7455	3.5002	2.5347		2.8027	2.7780	3.4950	1.0975	1.0971	1.0971
H8	2.1780	2.7896	3.0666	3.7021	2.9708	1.0975	2.8027		1.7770	1.7750	2.6238	3.1465	3.8144
H9	2.1835	3.4626	2.4780	4.3811	3.7967	1.0971	2.7780	1.7770		1.7742	3.1465	2.5698	3.7831
H10	2.1865	2.7549	2.4965	3.8369	2.5772	1.0971	3.4950	1.7750	1.7742		3.8144	3.7831	4.3443
H11	2.1780	2.7896	3.0666	2.9708	3.7021	2.8027	1.0975	2.6238	3.1465	3.8144		1.7770	1.7750
H12	2.1835	3.4626	2.4780	3.7967	4.3811	2.7780	1.0971	3.1465	2.5698	3.7831	1.7770		1.7742
H13	2.1865	2.7549	2.4965	2.5772	3.8369	3.4950	1.0971	3.8144	3.7831	4.3443	1.7750	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.737	C1	C2	H5	120.737
C1	C6	H8	110.516	C1	C6	H9	110.971
C1	C6	H10	111.213	C1	C7	H11	110.516
C1	C7	H12	110.971	C1	C7	H13	111.213
C2	C1	H3	108.289	C2	C1	C6	111.320
C2	C1	C7	111.320	H3	C1	C6	107.224
H3	C1	C7	107.224	H4	C2	H5	117.454
C6	C1	C7	111.243	H8	C6	H9	108.135
H8	C6	H10	107.963	H9	C6	H10	107.918
H11	C7	H12	108.135	H11	C7	H13	107.963
H12	C7	H13	107.918

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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