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	hartrees
Energy at 0K	-157.964175
Energy at 298.15K	-157.974909
HF Energy	-157.339969
Nuclear repulsion energy	134.654218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	2994	86.85
2	A₁	3068	2915	20.11
3	A₁	3062	2909	3.89
4	A₁	1535	1458	18.35
5	A₁	1441	1369	4.23
6	A₁	1230	1169	0.03
7	A₁	824	783	0.54
8	A₁	433	411	0.07
9	A₂	3152	2995	0.00
10	A₂	1501	1426	0.00
11	A₂	967	919	0.00
12	A₂	202	192	0.00
13	E	3156	2998	47.37
13	E	3156	2998	47.37
14	E	3144	2987	6.44
14	E	3144	2987	6.44
15	E	3058	2906	31.02
15	E	3058	2906	31.02
16	E	1527	1451	3.91
16	E	1527	1451	3.91
17	E	1507	1432	0.37
17	E	1507	1432	0.37
18	E	1417	1347	9.29
18	E	1417	1347	9.29
19	E	1374	1306	1.45
19	E	1374	1306	1.45
20	E	1216	1156	1.37
20	E	1216	1156	1.37
21	E	1003	953	0.13
21	E	1003	953	0.13
22	E	936	889	0.79
22	E	936	889	0.79
23	E	366	348	0.03
23	E	366	348	0.03
24	E	272	258	0.00
24	E	272	258	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.380
H2	0.000	0.000	1.478
C3	0.000	1.453	-0.097
C4	1.259	-0.727	-0.097
C5	-1.259	-0.727	-0.097
H6	0.000	1.491	-1.192
H7	1.292	-0.746	-1.192
H8	-1.292	-0.746	-1.192
H9	0.887	1.987	0.260
H10	-0.887	1.987	0.260
H11	1.277	-1.762	0.260
H12	2.164	-0.226	0.260
H13	-2.164	-0.226	0.260
H14	-1.277	-1.762	0.260

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0984	1.5293	1.5293	1.5293	2.1671	2.1671	2.1671	2.1793	2.1793	2.1793	2.1793	2.1793	2.1793
H2	1.0984		2.1429	2.1429	2.1429	3.0589	3.0589	3.0589	2.4938	2.4938	2.4938	2.4938	2.4938	2.4938
C3	1.5293	2.1429		2.5170	2.5170	1.0964	2.7756	2.7756	1.0949	1.0949	3.4776	2.7622	2.7622	3.4776
C4	1.5293	2.1429	2.5170		2.5170	2.7756	1.0964	2.7756	2.7622	3.4776	1.0949	1.0949	3.4776	2.7622
C5	1.5293	2.1429	2.5170	2.5170		2.7756	2.7756	1.0964	3.4776	2.7622	2.7622	3.4776	1.0949	1.0949
H6	2.1671	3.0589	1.0964	2.7756	2.7756		2.5832	2.5832	1.7725	1.7725	3.7846	3.1212	3.1212	3.7846
H7	2.1671	3.0589	2.7756	1.0964	2.7756	2.5832		2.5832	3.1212	3.7846	1.7725	1.7725	3.7846	3.1212
H8	2.1671	3.0589	2.7756	2.7756	1.0964	2.5832	2.5832		3.7846	3.1212	3.1212	3.7846	1.7725	1.7725
H9	2.1793	2.4938	1.0949	2.7622	3.4776	1.7725	3.1212	3.7846		1.7736	3.7690	2.5550	3.7690	4.3286
H10	2.1793	2.4938	1.0949	3.4776	2.7622	1.7725	3.7846	3.1212	1.7736		4.3286	3.7690	2.5550	3.7690
H11	2.1793	2.4938	3.4776	1.0949	2.7622	3.7846	1.7725	3.1212	3.7690	4.3286		1.7736	3.7690	2.5550
H12	2.1793	2.4938	2.7622	1.0949	3.4776	3.1212	1.7725	3.7846	2.5550	3.7690	1.7736		4.3286	3.7690
H13	2.1793	2.4938	2.7622	3.4776	1.0949	3.1212	3.7846	1.7725	3.7690	2.5550	3.7690	4.3286		1.7736
H14	2.1793	2.4938	3.4776	2.7622	1.0949	3.7846	3.1212	1.7725	4.3286	3.7690	2.5550	3.7690	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.151	C1	C3	H9	111.215
C1	C3	H10	111.215	C1	C4	H7	110.151
C1	C4	H11	111.215	C1	C4	H12	111.215
C1	C5	H8	110.151	C1	C5	H13	111.215
C1	C5	H14	111.215	H2	C1	C3	108.155
H2	C1	C4	108.155	H2	C1	C5	108.155
C3	C1	C4	110.755	C3	C1	C5	110.755
C4	C1	C5	110.755	H6	C3	H9	107.975
H6	C3	H10	107.975	H7	C4	H11	107.975
H7	C4	H12	107.975	H8	C5	H13	107.975
H8	C5	H14	107.975	H9	C3	H10	108.187
H11	C4	H12	108.187	H13	C5	H14	108.187

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

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

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: MP2/6-311G**

States and conformations

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