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	hartrees
Energy at 0K	-157.301899
Energy at 298.15K	-157.310708
HF Energy	-156.694204
Nuclear repulsion energy	126.638938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3023	16.99
2	A	3166	2998	53.97
3	A	3165	2997	36.98
4	A	3074	2911	15.26
5	A	3001	2842	27.60
6	A	1553	1471	13.22
7	A	1542	1461	7.24
8	A	1504	1425	3.30
9	A	1450	1373	8.42
10	A	1362	1290	2.75
11	A	1236	1171	0.89
12	A	1118	1059	1.21
13	A	1016	962	1.37
14	A	843	799	0.09
15	A	528	500	26.65
16	A	405	383	21.86
17	A	371	352	2.05
18	A	274	260	0.25
19	A	3303	3129	14.48
20	A	3163	2996	18.63
21	A	3162	2995	1.65
22	A	3071	2909	32.79
23	A	1531	1450	3.92
24	A	1527	1446	0.22
25	A	1434	1358	10.35
26	A	1368	1296	0.25
27	A	1216	1152	0.36
28	A	998	946	0.05
29	A	966	915	0.65
30	A	932	882	0.91
31	A	382	361	0.09
32	A	239	226	0.00
33	A	145	137	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.360	0.000
C2	1.475	0.124	0.000
H3	-0.178	1.449	0.000
H4	2.037	0.142	0.926
H5	2.037	0.142	-0.926
C6	-0.653	-0.208	-1.261
C7	-0.653	-0.208	1.261
H8	-0.523	-1.294	-1.301
H9	-1.724	0.008	-1.279
H10	-0.208	0.219	-2.164
H11	-0.523	-1.294	1.301
H12	-1.724	0.008	1.279
H13	-0.208	0.219	2.164

	C1	C2	H3	H4	H5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.4940	1.1036	2.2485	2.2485	1.5298	1.5298	2.1682	2.1754	2.1788	2.1682	2.1754	2.1788
C2	1.4940		2.1190	1.0835	1.0835	2.4960	2.4960	2.7740	3.4475	2.7436	2.7740	3.4475	2.7436
H3	1.1036	2.1190		2.7342	2.7342	2.1363	2.1363	3.0552	2.4703	2.4897	3.0552	2.4703	2.4897
H4	2.2485	1.0835	2.7342		1.8522	3.4849	2.7335	3.6845	4.3622	3.8208	2.9590	3.7805	2.5656
H5	2.2485	1.0835	2.7342	1.8522		2.7335	3.4849	2.9590	3.7805	2.5656	3.6845	4.3622	3.8208
C6	1.5298	2.4960	2.1363	3.4849	2.7335		2.5226	1.0935	1.0932	1.0932	2.7858	2.7650	3.4805
C7	1.5298	2.4960	2.1363	2.7335	3.4849	2.5226		2.7858	2.7650	3.4805	1.0935	1.0932	1.0932
H8	2.1682	2.7740	3.0552	3.6845	2.9590	1.0935	2.7858		1.7713	1.7693	2.6023	3.1291	3.7940
H9	2.1754	3.4475	2.4703	4.3622	3.7805	1.0932	2.7650	1.7713		1.7684	3.1291	2.5570	3.7676
H10	2.1788	2.7436	2.4897	3.8208	2.5656	1.0932	3.4805	1.7693	1.7684		3.7940	3.7676	4.3283
H11	2.1682	2.7740	3.0552	2.9590	3.6845	2.7858	1.0935	2.6023	3.1291	3.7940		1.7713	1.7693
H12	2.1754	3.4475	2.4703	3.7805	4.3622	2.7650	1.0932	3.1291	2.5570	3.7676	1.7713		1.7684
H13	2.1788	2.7436	2.4897	2.5656	3.8208	3.4805	1.0932	3.7940	3.7676	4.3283	1.7693	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.643	C1	C2	H5	120.643
C1	C6	H8	110.372	C1	C6	H9	110.964
C1	C6	H10	111.235	C1	C7	H11	110.372
C1	C7	H12	110.964	C1	C7	H13	111.235
C2	C1	H3	108.391	C2	C1	C6	111.266
C2	C1	C7	111.266	H3	C1	C6	107.325
H3	C1	C7	107.325	H4	C2	H5	117.462
C6	C1	C7	111.069	H8	C6	H9	108.187
H8	C6	H10	108.015	H9	C6	H10	107.950
H11	C7	H12	108.187	H11	C7	H13	108.015
H12	C7	H13	107.950

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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