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	hartrees
Energy at 0K	-157.930876
Energy at 298.15K	-157.941701
HF Energy	-157.314359
Nuclear repulsion energy	135.150899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3005	81.09
2	A₁	3120	2916	19.47
3	A₁	3118	2913	6.45
4	A₁	1577	1473	13.62
5	A₁	1482	1385	2.80
6	A₁	1257	1175	0.05
7	A₁	833	779	0.51
8	A₁	441	412	0.12
9	A₂	3216	3005	0.00
10	A₂	1545	1444	0.00
11	A₂	986	921	0.00
12	A₂	227	212	0.00
13	E	3219	3008	45.64
13	E	3219	3008	45.64
14	E	3209	2998	5.31
14	E	3209	2998	5.31
15	E	3116	2912	28.32
15	E	3116	2912	28.32
16	E	1569	1466	2.69
16	E	1569	1466	2.69
17	E	1551	1449	0.42
17	E	1551	1449	0.42
18	E	1456	1360	5.80
18	E	1456	1360	5.80
19	E	1408	1316	2.18
19	E	1408	1316	2.18
20	E	1240	1158	1.26
20	E	1240	1158	1.26
21	E	1018	952	0.21
21	E	1018	952	0.21
22	E	954	891	1.08
22	E	954	891	1.08
23	E	375	350	0.01
23	E	375	350	0.01
24	E	279	261	0.01
24	E	279	261	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.376
H2	0.000	0.000	1.470
C3	0.000	1.449	-0.096
C4	1.255	-0.725	-0.096
C5	-1.255	-0.725	-0.096
H6	0.000	1.493	-1.186
H7	1.293	-0.746	-1.186
H8	-1.293	-0.746	-1.186
H9	0.882	1.981	0.260
H10	-0.882	1.981	0.260
H11	1.275	-1.754	0.260
H12	2.156	-0.227	0.260
H13	-2.156	-0.227	0.260
H14	-1.275	-1.754	0.260

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0936	1.5241	1.5241	1.5241	2.1601	2.1601	2.1601	2.1710	2.1710	2.1710	2.1710	2.1710	2.1710
H2	1.0936		2.1333	2.1333	2.1333	3.0458	3.0458	3.0458	2.4826	2.4826	2.4826	2.4826	2.4826	2.4826
C3	1.5241	2.1333		2.5100	2.5100	1.0905	2.7709	2.7709	1.0891	1.0891	3.4655	2.7540	2.7540	3.4655
C4	1.5241	2.1333	2.5100		2.5100	2.7709	1.0905	2.7709	2.7540	3.4655	1.0891	1.0891	3.4655	2.7540
C5	1.5241	2.1333	2.5100	2.5100		2.7709	2.7709	1.0905	3.4655	2.7540	2.7540	3.4655	1.0891	1.0891
H6	2.1601	3.0458	1.0905	2.7709	2.7709		2.5851	2.5851	1.7621	1.7621	3.7752	3.1136	3.1136	3.7752
H7	2.1601	3.0458	2.7709	1.0905	2.7709	2.5851		2.5851	3.1136	3.7752	1.7621	1.7621	3.7752	3.1136
H8	2.1601	3.0458	2.7709	2.7709	1.0905	2.5851	2.5851		3.7752	3.1136	3.1136	3.7752	1.7621	1.7621
H9	2.1710	2.4826	1.0891	2.7540	3.4655	1.7621	3.1136	3.7752		1.7630	3.7550	2.5490	3.7550	4.3121
H10	2.1710	2.4826	1.0891	3.4655	2.7540	1.7621	3.7752	3.1136	1.7630		4.3121	3.7550	2.5490	3.7550
H11	2.1710	2.4826	3.4655	1.0891	2.7540	3.7752	1.7621	3.1136	3.7550	4.3121		1.7630	3.7550	2.5490
H12	2.1710	2.4826	2.7540	1.0891	3.4655	3.1136	1.7621	3.7752	2.5490	3.7550	1.7630		4.3121	3.7550
H13	2.1710	2.4826	2.7540	3.4655	1.0891	3.1136	3.7752	1.7621	3.7550	2.5490	3.7550	4.3121		1.7630
H14	2.1710	2.4826	3.4655	2.7540	1.0891	3.7752	3.1136	1.7621	4.3121	3.7550	2.5490	3.7550	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.314	C1	C3	H9	111.273
C1	C3	H10	111.273	C1	C4	H7	110.313
C1	C4	H11	111.273	C1	C4	H12	111.273
C1	C5	H8	110.313	C1	C5	H13	111.273
C1	C5	H14	111.273	H2	C1	C3	108.036
H2	C1	C4	108.036	H2	C1	C5	108.036
C3	C1	C4	110.867	C3	C1	C5	110.867
C4	C1	C5	110.867	H6	C3	H9	107.886
H6	C3	H10	107.886	H7	C4	H11	107.887
H7	C4	H12	107.886	H8	C5	H13	107.886
H8	C5	H14	107.887	H9	C3	H10	108.071
H11	C4	H12	108.071	H13	C5	H14	108.071

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

using model chemistry: MP2=FULL/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 CH3CH(CH3)CH3 (Isobutane)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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