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	hartrees
Energy at 0K	-157.828734
Energy at 298.15K	-157.839549
HF Energy	-157.298403
Nuclear repulsion energy	134.740606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3002	78.73
2	A₁	3095	2919	11.28
3	A₁	3088	2912	13.32
4	A₁	1579	1489	16.67
5	A₁	1485	1401	3.80
6	A₁	1259	1187	0.17
7	A₁	833	785	0.69
8	A₁	445	420	0.23
9	A₂	3183	3002	0.00
10	A₂	1546	1458	0.00
11	A₂	987	931	0.00
12	A₂	228	215	0.00
13	E	3186	3005	44.80
13	E	3186	3005	44.80
14	E	3177	2996	4.61
14	E	3177	2996	4.61
15	E	3091	2915	26.78
15	E	3091	2915	26.78
16	E	1571	1481	3.97
16	E	1571	1481	3.97
17	E	1553	1465	0.49
17	E	1553	1465	0.49
18	E	1460	1377	8.51
18	E	1460	1377	8.51
19	E	1411	1330	1.79
19	E	1411	1330	1.79
20	E	1240	1169	1.63
20	E	1240	1169	1.63
21	E	1018	960	0.28
21	E	1018	960	0.28
22	E	955	901	1.57
22	E	955	901	1.57
23	E	377	355	0.00
23	E	377	355	0.00
24	E	278	262	0.02
24	E	278	262	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
H2	0.000	0.000	1.476
C3	0.000	1.452	-0.096
C4	1.258	-0.726	-0.096
C5	-1.258	-0.726	-0.096
H6	0.000	1.496	-1.191
H7	1.296	-0.748	-1.191
H8	-1.296	-0.748	-1.191
H9	0.886	1.986	0.262
H10	-0.886	1.986	0.262
H11	1.277	-1.760	0.262
H12	2.163	-0.226	0.262
H13	-2.163	-0.226	0.262
H14	-1.277	-1.760	0.262

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0986	1.5273	1.5273	1.5273	2.1673	2.1673	2.1673	2.1779	2.1779	2.1779	2.1779	2.1779	2.1779
H2	1.0986		2.1400	2.1400	2.1400	3.0578	3.0578	3.0578	2.4906	2.4906	2.4906	2.4906	2.4906	2.4906
C3	1.5273	2.1400		2.5151	2.5151	1.0958	2.7781	2.7781	1.0947	1.0947	3.4755	2.7610	2.7610	3.4755
C4	1.5273	2.1400	2.5151		2.5151	2.7781	1.0958	2.7781	2.7610	3.4755	1.0947	1.0947	3.4755	2.7610
C5	1.5273	2.1400	2.5151	2.5151		2.7781	2.7781	1.0958	3.4755	2.7610	2.7610	3.4755	1.0947	1.0947
H6	2.1673	3.0578	1.0958	2.7781	2.7781		2.5911	2.5911	1.7710	1.7710	3.7876	3.1234	3.1234	3.7876
H7	2.1673	3.0578	2.7781	1.0958	2.7781	2.5911		2.5911	3.1234	3.7876	1.7710	1.7710	3.7876	3.1234
H8	2.1673	3.0578	2.7781	2.7781	1.0958	2.5911	2.5911		3.7876	3.1234	3.1234	3.7876	1.7710	1.7710
H9	2.1779	2.4906	1.0947	2.7610	3.4755	1.7710	3.1234	3.7876		1.7718	3.7670	2.5544	3.7670	4.3262
H10	2.1779	2.4906	1.0947	3.4755	2.7610	1.7710	3.7876	3.1234	1.7718		4.3262	3.7670	2.5544	3.7670
H11	2.1779	2.4906	3.4755	1.0947	2.7610	3.7876	1.7710	3.1234	3.7670	4.3262		1.7718	3.7670	2.5544
H12	2.1779	2.4906	2.7610	1.0947	3.4755	3.1234	1.7710	3.7876	2.5544	3.7670	1.7718		4.3262	3.7670
H13	2.1779	2.4906	2.7610	3.4755	1.0947	3.1234	3.7876	1.7710	3.7670	2.5544	3.7670	4.3262		1.7718
H14	2.1779	2.4906	3.4755	2.7610	1.0947	3.7876	3.1234	1.7710	4.3262	3.7670	2.5544	3.7670	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.347	C1	C3	H9	111.257
C1	C3	H10	111.257	C1	C4	H7	110.347
C1	C4	H11	111.257	C1	C4	H12	111.257
C1	C5	H8	110.347	C1	C5	H13	111.257
C1	C5	H14	111.257	H2	C1	C3	108.052
H2	C1	C4	108.052	H2	C1	C5	108.052
C3	C1	C4	110.852	C3	C1	C5	110.852
C4	C1	C5	110.852	H6	C3	H9	107.899
H6	C3	H10	107.899	H7	C4	H11	107.899
H7	C4	H12	107.899	H8	C5	H13	107.899
H8	C5	H14	107.899	H9	C3	H10	108.046
H11	C4	H12	108.046	H13	C5	H14	108.046

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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