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	hartrees
Energy at 0K	-157.145137
Energy at 298.15K	-157.154035
HF Energy	-156.666502
Nuclear repulsion energy	126.712214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	3010	15.64
2	A	3225	2979	64.05
3	A	3223	2977	43.45
4	A	3146	2906	15.01
5	A	3064	2830	33.76
6	A	1601	1479	8.13
7	A	1592	1471	4.35
8	A	1551	1432	1.05
9	A	1507	1392	4.16
10	A	1419	1311	4.27
11	A	1275	1178	0.95
12	A	1160	1071	1.58
13	A	1041	962	0.77
14	A	861	795	0.01
15	A	538	497	21.10
16	A	418	386	18.57
17	A	380	351	1.08
18	A	276	255	0.15
19	A	3360	3104	17.53
20	A	3221	2975	22.25
21	A	3220	2974	0.53
22	A	3141	2902	32.97
23	A	1582	1461	2.63
24	A	1579	1458	0.06
25	A	1494	1380	5.32
26	A	1429	1320	0.55
27	A	1251	1155	0.19
28	A	1025	947	0.07
29	A	994	918	0.75
30	A	958	885	0.45
31	A	388	359	0.08
32	A	246	227	0.00
33	A	154	143	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.359	0.000
C2	1.477	0.116	0.000
H3	-0.172	1.445	0.000
H4	2.038	0.143	0.923
H5	2.038	0.143	-0.923
C6	-0.654	-0.206	-1.261
C7	-0.654	-0.206	1.261
H8	-0.532	-1.290	-1.302
H9	-1.721	0.016	-1.280
H10	-0.206	0.217	-2.161
H11	-0.532	-1.290	1.302
H12	-1.721	0.016	1.280
H13	-0.206	0.217	2.161

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4967	1.0995	2.2482	2.2482	1.5290	1.5290	2.1677	2.1727	2.1753	2.1677	2.1727	2.1753
C2	1.4967		2.1178	1.0810	1.0810	2.4969	2.4969	2.7767	3.4466	2.7405	2.7767	3.4466	2.7405
H3	1.0995	2.1178		2.7269	2.7269	2.1330	2.1330	3.0505	2.4662	2.4858	3.0505	2.4662	2.4858
H4	2.2482	1.0810	2.7269		1.8467	3.4845	2.7357	3.6897	4.3600	3.8149	2.9671	3.7789	2.5637
H5	2.2482	1.0810	2.7269	1.8467		2.7357	3.4845	2.9671	3.7789	2.5637	3.6897	4.3600	3.8149
C6	1.5290	2.4969	2.1330	3.4845	2.7357		2.5223	1.0910	1.0907	1.0907	2.7858	2.7657	3.4771
C7	1.5290	2.4969	2.1330	2.7357	3.4845	2.5223		2.7858	2.7657	3.4771	1.0910	1.0907	1.0907
H8	2.1677	2.7767	3.0505	3.6897	2.9671	1.0910	2.7858		1.7664	1.7645	2.6050	3.1291	3.7910
H9	2.1727	3.4466	2.4662	4.3600	3.7789	1.0907	2.7657	1.7664		1.7645	3.1291	2.5609	3.7658
H10	2.1753	2.7405	2.4858	3.8149	2.5637	1.0907	3.4771	1.7645	1.7645		3.7910	3.7658	4.3217
H11	2.1677	2.7767	3.0505	2.9671	3.6897	2.7858	1.0910	2.6050	3.1291	3.7910		1.7664	1.7645
H12	2.1727	3.4466	2.4662	3.7789	4.3600	2.7657	1.0907	3.1291	2.5609	3.7658	1.7664		1.7645
H13	2.1753	2.7405	2.4858	2.5637	3.8149	3.4771	1.0907	3.7910	3.7658	4.3217	1.7645	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.573	C1	C2	H5	120.573
C1	C6	H8	110.541	C1	C6	H9	110.963
C1	C6	H10	111.168	C1	C7	H11	110.541
C1	C7	H12	110.963	C1	C7	H13	111.168
C2	C1	H3	108.349	C2	C1	C6	111.221
C2	C1	C7	111.221	H3	C1	C6	107.358
H3	C1	C7	107.358	H4	C2	H5	117.332
C6	C1	C7	111.138	H8	C6	H9	108.118
H8	C6	H10	107.956	H9	C6	H10	107.970
H11	C7	H12	108.118	H11	C7	H13	107.956
H12	C7	H13	107.970

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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