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	hartrees
Energy at 0K	-156.150424
Energy at 298.15K	-156.159242
HF Energy	-155.802137
Nuclear repulsion energy	125.519416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3023	15.18
2	A	3158	3005	48.83
3	A	3152	2998	35.87
4	A	3077	2928	10.75
5	A	3017	2870	20.43
6	A	1610	1531	9.08
7	A	1604	1526	4.79
8	A	1544	1469	0.37
9	A	1492	1420	4.04
10	A	1386	1319	2.27
11	A	1250	1189	2.30
12	A	1154	1098	2.12
13	A	990	942	1.21
14	A	809	770	0.03
15	A	523	498	20.28
16	A	408	388	20.51
17	A	377	358	1.12
18	A	271	258	0.18
19	A	3288	3127	16.51
20	A	3154	3000	3.61
21	A	3149	2995	13.98
22	A	3075	2926	26.00
23	A	1594	1517	2.77
24	A	1592	1514	0.29
25	A	1478	1406	5.82
26	A	1398	1330	0.88
27	A	1216	1157	0.69
28	A	1008	959	0.02
29	A	1001	952	1.65
30	A	936	891	0.86
31	A	386	367	0.01
32	A	248	236	0.00
33	A	135	129	0.49

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	2.051	0.151	0.929
H5	2.051	0.151	-0.929
C6	-0.661	-0.216	-1.275
C7	-0.661	-0.216	1.275
H8	-0.518	-1.302	-1.292
H9	-1.736	-0.001	-1.283
H10	-0.212	0.211	-2.179
H11	-0.518	-1.302	1.292
H12	-1.736	-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		1.5122	1.1035	2.2628	2.2628	1.5537	1.5537	2.1809	2.1915	2.1955	2.1809	2.1915	2.1955
C2	1.5122		2.1463	1.0852	1.0852	2.5243	2.5243	2.7818	3.4747	2.7667	2.7818	3.4747	2.7667
H3	1.1035	2.1463		2.7549	2.7549	2.1625	2.1625	3.0716	2.4902	2.5140	3.0716	2.4902	2.5140
H4	2.2628	1.0852	2.7549		1.8586	3.5138	2.7582	3.6937	4.3882	3.8450	2.9731	3.8060	2.5854
H5	2.2628	1.0852	2.7549	1.8586		2.7582	3.5138	2.9731	3.8060	2.5854	3.6937	4.3882	3.8450
C6	1.5537	2.5243	2.1625	3.5138	2.7582		2.5501	1.0955	1.0959	1.0960	2.7913	2.7833	3.5092
C7	1.5537	2.5243	2.1625	2.7582	3.5138	2.5501		2.7913	2.7833	3.5092	1.0955	1.0959	1.0960
H8	2.1809	2.7818	3.0716	3.6937	2.9731	1.0955	2.7913		1.7815	1.7801	2.5847	3.1318	3.7991
H9	2.1915	3.4747	2.4902	4.3882	3.8060	1.0959	2.7833	1.7815		1.7804	3.1318	2.5668	3.7889
H10	2.1955	2.7667	2.5140	3.8450	2.5854	1.0960	3.5092	1.7801	1.7804		3.7991	3.7889	4.3580
H11	2.1809	2.7818	3.0716	2.9731	3.6937	2.7913	1.0955	2.5847	3.1318	3.7991		1.7815	1.7801
H12	2.1915	3.4747	2.4902	3.8060	4.3882	2.7833	1.0959	3.1318	2.5668	3.7889	1.7815		1.7804
H13	2.1955	2.7667	2.5140	2.5854	3.8450	3.5092	1.0960	3.7991	3.7889	4.3580	1.7801	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.298	C1	C2	H5	120.298
C1	C6	H8	109.606	C1	C6	H9	110.415
C1	C6	H10	110.723	C1	C7	H11	109.606
C1	C7	H12	110.415	C1	C7	H13	110.723
C2	C1	H3	109.283	C2	C1	C6	110.831
C2	C1	C7	110.831	H3	C1	C6	107.743
H3	C1	C7	107.743	H4	C2	H5	117.810
C6	C1	C7	110.302	H8	C6	H9	108.775
H8	C6	H10	108.638	H9	C6	H10	108.636
H11	C7	H12	108.775	H11	C7	H13	108.638
H12	C7	H13	108.636

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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