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	hartrees
Energy at 0K	-28.037489
Energy at 298.15K	-28.048107
HF Energy	-27.703531
Nuclear repulsion energy	77.586863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	3018	202.92
2	A₁	3047	2945	22.80
3	A₁	3016	2915	15.61
4	A₁	1537	1485	20.67
5	A₁	1464	1415	5.05
6	A₁	1241	1199	1.27
7	A₁	793	766	0.69
8	A₁	428	414	0.26
9	A₂	3114	3009	0.00
10	A₂	1512	1461	0.00
11	A₂	975	942	0.00
12	A₂	201	194	0.00
13	E	3121	3016	93.06
13	E	3121	3016	93.06
14	E	3112	3007	11.38
14	E	3112	3007	11.38
15	E	3013	2912	59.22
15	E	3013	2912	59.22
16	E	1532	1481	4.50
16	E	1532	1481	4.50
17	E	1516	1465	0.84
17	E	1516	1465	0.84
18	E	1439	1391	10.11
18	E	1439	1391	10.11
19	E	1383	1337	3.86
19	E	1383	1337	3.86
20	E	1219	1178	4.31
20	E	1219	1178	4.31
21	E	996	962	0.00
21	E	996	962	0.00
22	E	939	907	2.36
22	E	939	907	2.36
23	E	357	345	0.00
23	E	357	345	0.00
24	E	252	244	0.02
24	E	252	244	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.387
H2	0.000	0.000	1.503
C3	0.000	1.493	-0.100
C4	1.293	-0.747	-0.100
C5	-1.293	-0.747	-0.100
H6	0.000	1.538	-1.213
H7	1.332	-0.769	-1.213
H8	-1.332	-0.769	-1.213
H9	0.901	2.031	0.269
H10	-0.901	2.031	0.269
H11	1.309	-1.796	0.269
H12	2.210	-0.235	0.269
H13	-2.210	-0.235	0.269
H14	-1.309	-1.796	0.269

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.1160	1.5703	1.5703	1.5703	2.2192	2.2192	2.2192	2.2255	2.2255	2.2255	2.2255	2.2255	2.2255
H2	1.1160		2.1904	2.1904	2.1904	3.1210	3.1210	3.1210	2.5421	2.5421	2.5421	2.5421	2.5421	2.5421
C3	1.5703	2.1904		2.5860	2.5860	1.1138	2.8514	2.8514	1.1126	1.1126	3.5591	2.8296	2.8296	3.5591
C4	1.5703	2.1904	2.5860		2.5860	2.8514	1.1138	2.8514	2.8296	3.5591	1.1126	1.1126	3.5591	2.8296
C5	1.5703	2.1904	2.5860	2.5860		2.8514	2.8514	1.1138	3.5591	2.8296	2.8296	3.5591	1.1126	1.1126
H6	2.2192	3.1210	1.1138	2.8514	2.8514		2.6644	2.6644	1.8027	1.8027	3.8763	3.1974	3.1974	3.8763
H7	2.2192	3.1210	2.8514	1.1138	2.8514	2.6644		2.6644	3.1974	3.8763	1.8027	1.8027	3.8763	3.1974
H8	2.2192	3.1210	2.8514	2.8514	1.1138	2.6644	2.6644		3.8763	3.1974	3.1974	3.8763	1.8027	1.8027
H9	2.2255	2.5421	1.1126	2.8296	3.5591	1.8027	3.1974	3.8763		1.8024	3.8493	2.6174	3.8493	4.4198
H10	2.2255	2.5421	1.1126	3.5591	2.8296	1.8027	3.8763	3.1974	1.8024		4.4198	3.8493	2.6174	3.8493
H11	2.2255	2.5421	3.5591	1.1126	2.8296	3.8763	1.8027	3.1974	3.8493	4.4198		1.8024	3.8493	2.6174
H12	2.2255	2.5421	2.8296	1.1126	3.5591	3.1974	1.8027	3.8763	2.6174	3.8493	1.8024		4.4198	3.8493
H13	2.2255	2.5421	2.8296	3.5591	1.1126	3.1974	3.8763	1.8027	3.8493	2.6174	3.8493	4.4198		1.8024
H14	2.2255	2.5421	3.5591	2.8296	1.1126	3.8763	3.1974	1.8027	4.4198	3.8493	2.6174	3.8493	1.8024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.381	C1	C3	H9	110.947
C1	C3	H10	110.947	C1	C4	H7	110.381
C1	C4	H11	110.947	C1	C4	H12	110.947
C1	C5	H8	110.381	C1	C5	H13	110.947
C1	C5	H14	110.947	H2	C1	C3	108.053
H2	C1	C4	108.053	H2	C1	C5	108.053
C3	C1	C4	110.852	C3	C1	C5	110.852
C4	C1	C5	110.852	H6	C3	H9	108.135
H6	C3	H10	108.135	H7	C4	H11	108.135
H7	C4	H12	108.135	H8	C5	H13	108.135
H8	C5	H14	108.135	H9	C3	H10	108.192
H11	C4	H12	108.192	H13	C5	H14	108.192

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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