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	hartrees
Energy at 0K	-158.039861
Energy at 298.15K	-158.050603
HF Energy	-157.340005
Nuclear repulsion energy	134.788315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	2996	85.64
2	A₁	3075	2917	19.63
3	A₁	3068	2910	4.17
4	A₁	1534	1455	18.68
5	A₁	1441	1367	4.41
6	A₁	1231	1168	0.04
7	A₁	827	784	0.56
8	A₁	434	412	0.08
9	A₂	3159	2997	0.00
10	A₂	1500	1423	0.00
11	A₂	968	918	0.00
12	A₂	202	192	0.00
13	E	3162	3000	46.65
13	E	3162	3000	46.65
14	E	3150	2988	6.40
14	E	3150	2988	6.40
15	E	3064	2907	30.74
15	E	3064	2907	30.74
16	E	1526	1448	3.98
16	E	1526	1448	3.98
17	E	1506	1429	0.38
17	E	1506	1429	0.38
18	E	1418	1345	9.84
18	E	1418	1345	9.84
19	E	1375	1305	1.24
19	E	1375	1305	1.24
20	E	1218	1156	1.34
20	E	1218	1156	1.34
21	E	1005	953	0.16
21	E	1005	953	0.16
22	E	937	889	0.84
22	E	937	889	0.84
23	E	368	349	0.03
23	E	368	349	0.03
24	E	273	259	0.00
24	E	273	259	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.379
H2	0.000	0.000	1.477
C3	0.000	1.451	-0.096
C4	1.257	-0.726	-0.096
C5	-1.257	-0.726	-0.096
H6	0.000	1.490	-1.192
H7	1.290	-0.745	-1.192
H8	-1.290	-0.745	-1.192
H9	0.886	1.985	0.260
H10	-0.886	1.985	0.260
H11	1.276	-1.760	0.260
H12	2.163	-0.225	0.260
H13	-2.163	-0.225	0.260
H14	-1.276	-1.760	0.260

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0978	1.5273	1.5273	1.5273	2.1649	2.1649	2.1649	2.1776	2.1776	2.1776	2.1776	2.1776	2.1776
H2	1.0978		2.1407	2.1407	2.1407	3.0564	3.0564	3.0564	2.4919	2.4919	2.4919	2.4919	2.4919	2.4919
C3	1.5273	2.1407		2.5138	2.5138	1.0959	2.7725	2.7725	1.0944	1.0944	3.4742	2.7594	2.7594	3.4742
C4	1.5273	2.1407	2.5138		2.5138	2.7725	1.0959	2.7725	2.7594	3.4742	1.0944	1.0944	3.4742	2.7594
C5	1.5273	2.1407	2.5138	2.5138		2.7725	2.7725	1.0959	3.4742	2.7594	2.7594	3.4742	1.0944	1.0944
H6	2.1649	3.0564	1.0959	2.7725	2.7725		2.5799	2.5799	1.7715	1.7715	3.7811	3.1183	3.1183	3.7811
H7	2.1649	3.0564	2.7725	1.0959	2.7725	2.5799		2.5799	3.1183	3.7811	1.7715	1.7715	3.7811	3.1183
H8	2.1649	3.0564	2.7725	2.7725	1.0959	2.5799	2.5799		3.7811	3.1183	3.1183	3.7811	1.7715	1.7715
H9	2.1776	2.4919	1.0944	2.7594	3.4742	1.7715	3.1183	3.7811		1.7727	3.7660	2.5525	3.7660	4.3252
H10	2.1776	2.4919	1.0944	3.4742	2.7594	1.7715	3.7811	3.1183	1.7727		4.3252	3.7660	2.5525	3.7660
H11	2.1776	2.4919	3.4742	1.0944	2.7594	3.7811	1.7715	3.1183	3.7660	4.3252		1.7727	3.7660	2.5525
H12	2.1776	2.4919	2.7594	1.0944	3.4742	3.1183	1.7715	3.7811	2.5525	3.7660	1.7727		4.3252	3.7660
H13	2.1776	2.4919	2.7594	3.4742	1.0944	3.1183	3.7811	1.7715	3.7660	2.5525	3.7660	4.3252		1.7727
H14	2.1776	2.4919	3.4742	2.7594	1.0944	3.7811	3.1183	1.7715	4.3252	3.7660	2.5525	3.7660	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.146	C1	C3	H9	111.247
C1	C3	H10	111.247	C1	C4	H7	110.146
C1	C4	H11	111.247	C1	C4	H12	111.247
C1	C5	H8	110.146	C1	C5	H13	111.247
C1	C5	H14	111.247	H2	C1	C3	108.149
H2	C1	C4	108.149	H2	C1	C5	108.149
C3	C1	C4	110.761	C3	C1	C5	110.761
C4	C1	C5	110.761	H6	C3	H9	107.952
H6	C3	H10	107.952	H7	C4	H11	107.952
H7	C4	H12	107.952	H8	C5	H13	107.952
H8	C5	H14	107.952	H9	C3	H10	108.170
H11	C4	H12	108.170	H13	C5	H14	108.170

All results from a given calculation for CH₃CH(CH₃)CH₃ (Isobutane)

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 CH3CH(CH3)CH3 (Isobutane)

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

States and conformations

All results from a given calculation for CH₃CH(CH₃)CH₃ (Isobutane)