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	hartrees
Energy at 0K	-157.963966
Energy at 298.15K	-157.974758
HF Energy	-157.325998
Nuclear repulsion energy	134.813138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	2991	89.38
2	A₁	3073	2911	21.88
3	A₁	3069	2906	2.13
4	A₁	1558	1476	24.43
5	A₁	1464	1386	6.62
6	A₁	1242	1177	0.22
7	A₁	828	784	0.85
8	A₁	443	419	0.20
9	A₂	3158	2991	0.00
10	A₂	1518	1438	0.00
11	A₂	974	922	0.00
12	A₂	217	205	0.00
13	E	3161	2994	48.65
13	E	3161	2994	48.65
14	E	3150	2984	5.67
14	E	3150	2984	5.67
15	E	3065	2903	31.47
15	E	3065	2903	31.47
16	E	1546	1464	6.85
16	E	1546	1464	6.85
17	E	1528	1447	0.35
17	E	1528	1447	0.35
18	E	1438	1362	14.35
18	E	1438	1362	14.35
19	E	1388	1314	1.34
19	E	1388	1314	1.34
20	E	1224	1159	1.95
20	E	1224	1159	1.95
21	E	1009	956	0.26
21	E	1009	956	0.26
22	E	943	893	1.52
22	E	943	893	1.52
23	E	376	356	0.01
23	E	376	356	0.01
24	E	276	261	0.00
24	E	276	261	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.378
H2	0.000	0.000	1.475
C3	0.000	1.451	-0.096
C4	1.257	-0.726	-0.096
C5	-1.257	-0.726	-0.096
H6	0.000	1.496	-1.190
H7	1.296	-0.748	-1.190
H8	-1.296	-0.748	-1.190
H9	0.884	1.986	0.261
H10	-0.884	1.986	0.261
H11	1.278	-1.759	0.261
H12	2.162	-0.227	0.261
H13	-2.162	-0.227	0.261
H14	-1.278	-1.759	0.261

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0977	1.5266	1.5266	1.5266	2.1672	2.1672	2.1672	2.1775	2.1775	2.1775	2.1775	2.1775	2.1775
H2	1.0977		2.1392	2.1392	2.1392	3.0568	3.0568	3.0568	2.4907	2.4907	2.4907	2.4907	2.4907	2.4907
C3	1.5266	2.1392		2.5136	2.5136	1.0949	2.7772	2.7772	1.0936	1.0936	3.4737	2.7606	2.7606	3.4737
C4	1.5266	2.1392	2.5136		2.5136	2.7772	1.0949	2.7772	2.7606	3.4737	1.0936	1.0936	3.4737	2.7606
C5	1.5266	2.1392	2.5136	2.5136		2.7772	2.7772	1.0949	3.4737	2.7606	2.7606	3.4737	1.0936	1.0936
H6	2.1672	3.0568	1.0949	2.7772	2.7772		2.5915	2.5915	1.7685	1.7685	3.7862	3.1228	3.1228	3.7862
H7	2.1672	3.0568	2.7772	1.0949	2.7772	2.5915		2.5915	3.1228	3.7862	1.7685	1.7685	3.7862	3.1228
H8	2.1672	3.0568	2.7772	2.7772	1.0949	2.5915	2.5915		3.7862	3.1228	3.1228	3.7862	1.7685	1.7685
H9	2.1775	2.4907	1.0936	2.7606	3.4737	1.7685	3.1228	3.7862		1.7687	3.7661	2.5562	3.7661	4.3249
H10	2.1775	2.4907	1.0936	3.4737	2.7606	1.7685	3.7862	3.1228	1.7687		4.3249	3.7661	2.5562	3.7661
H11	2.1775	2.4907	3.4737	1.0936	2.7606	3.7862	1.7685	3.1228	3.7661	4.3249		1.7687	3.7661	2.5562
H12	2.1775	2.4907	2.7606	1.0936	3.4737	3.1228	1.7685	3.7862	2.5562	3.7661	1.7687		4.3249	3.7661
H13	2.1775	2.4907	2.7606	3.4737	1.0936	3.1228	3.7862	1.7685	3.7661	2.5562	3.7661	4.3249		1.7687
H14	2.1775	2.4907	3.4737	2.7606	1.0936	3.7862	3.1228	1.7685	4.3249	3.7661	2.5562	3.7661	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.438	C1	C3	H9	111.342
C1	C3	H10	111.342	C1	C4	H7	110.438
C1	C4	H11	111.342	C1	C4	H12	111.342
C1	C5	H8	110.438	C1	C5	H13	111.342
C1	C5	H14	111.342	H2	C1	C3	108.083
H2	C1	C4	108.083	H2	C1	C5	108.083
C3	C1	C4	110.823	C3	C1	C5	110.823
C4	C1	C5	110.823	H6	C3	H9	107.817
H6	C3	H10	107.817	H7	C4	H11	107.817
H7	C4	H12	107.817	H8	C5	H13	107.817
H8	C5	H14	107.817	H9	C3	H10	107.935
H11	C4	H12	107.935	H13	C5	H14	107.935

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)