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	hartrees
Energy at 0K	-156.806209
Energy at 298.15K	-156.817071
HF Energy	-156.433427
Nuclear repulsion energy	133.639125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3152	3008	81.31
2	A₁	3082	2942	8.78
3	A₁	3073	2933	4.59
4	A₁	1614	1540	16.54
5	A₁	1505	1437	4.19
6	A₁	1277	1219	0.76
7	A₁	791	755	0.77
8	A₁	442	422	0.34
9	A₂	3144	3001	0.00
10	A₂	1587	1515	0.00
11	A₂	1017	970	0.00
12	A₂	242	231	0.00
13	E	3148	3005	44.82
13	E	3148	3005	44.82
14	E	3141	2998	3.47
14	E	3141	2998	3.47
15	E	3069	2929	23.98
15	E	3069	2929	23.98
16	E	1607	1534	4.38
16	E	1607	1534	4.38
17	E	1592	1520	0.51
17	E	1592	1520	0.51
18	E	1480	1412	6.28
18	E	1480	1412	6.28
19	E	1421	1357	3.39
19	E	1421	1357	3.39
20	E	1238	1182	3.38
20	E	1238	1182	3.38
21	E	1007	961	0.58
21	E	1007	961	0.58
22	E	961	917	1.70
22	E	961	917	1.70
23	E	378	361	0.01
23	E	378	361	0.01
24	E	276	263	0.02
24	E	276	263	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.391
H2	0.000	0.000	1.489
C3	0.000	1.469	-0.100
C4	1.272	-0.734	-0.100
C5	-1.272	-0.734	-0.100
H6	0.000	1.492	-1.197
H7	1.292	-0.746	-1.197
H8	-1.292	-0.746	-1.197
H9	0.890	1.999	0.259
H10	-0.890	1.999	0.259
H11	1.286	-1.770	0.259
H12	2.176	-0.228	0.259
H13	-2.176	-0.228	0.259
H14	-1.286	-1.770	0.259

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0982	1.5487	1.5487	1.5487	2.1783	2.1783	2.1783	2.1919	2.1919	2.1919	2.1919	2.1919	2.1919
H2	1.0982		2.1640	2.1640	2.1640	3.0721	3.0721	3.0721	2.5101	2.5101	2.5101	2.5101	2.5101	2.5101
C3	1.5487	2.1640		2.5442	2.5442	1.0969	2.7886	2.7886	1.0962	1.0962	3.5034	2.7829	2.7829	3.5034
C4	1.5487	2.1640	2.5442		2.5442	2.7886	1.0969	2.7886	2.7829	3.5034	1.0962	1.0962	3.5034	2.7829
C5	1.5487	2.1640	2.5442	2.5442		2.7886	2.7886	1.0969	3.5034	2.7829	2.7829	3.5034	1.0962	1.0962
H6	2.1783	3.0721	1.0969	2.7886	2.7886		2.5835	2.5835	1.7799	1.7799	3.7962	3.1324	3.1324	3.7962
H7	2.1783	3.0721	2.7886	1.0969	2.7886	2.5835		2.5835	3.1324	3.7962	1.7799	1.7799	3.7962	3.1324
H8	2.1783	3.0721	2.7886	2.7886	1.0969	2.5835	2.5835		3.7962	3.1324	3.1324	3.7962	1.7799	1.7799
H9	2.1919	2.5101	1.0962	2.7829	3.5034	1.7799	3.1324	3.7962		1.7803	3.7896	2.5717	3.7896	4.3520
H10	2.1919	2.5101	1.0962	3.5034	2.7829	1.7799	3.7962	3.1324	1.7803		4.3520	3.7896	2.5717	3.7896
H11	2.1919	2.5101	3.5034	1.0962	2.7829	3.7962	1.7799	3.1324	3.7896	4.3520		1.7803	3.7896	2.5717
H12	2.1919	2.5101	2.7829	1.0962	3.5034	3.1324	1.7799	3.7962	2.5717	3.7896	1.7803		4.3520	3.7896
H13	2.1919	2.5101	2.7829	3.5034	1.0962	3.1324	3.7962	1.7799	3.7896	2.5717	3.7896	4.3520		1.7803
H14	2.1919	2.5101	3.5034	2.7829	1.0962	3.7962	3.1324	1.7799	4.3520	3.7896	2.5717	3.7896	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	109.661	C1	C3	H9	110.771
C1	C3	H10	110.771	C1	C4	H7	109.661
C1	C4	H11	110.771	C1	C4	H12	110.771
C1	C5	H8	109.661	C1	C5	H13	110.771
C1	C5	H14	110.771	H2	C1	C3	108.477
H2	C1	C4	108.477	H2	C1	C5	108.477
C3	C1	C4	110.447	C3	C1	C5	110.447
C4	C1	C5	110.447	H6	C3	H9	108.494
H6	C3	H10	108.494	H7	C4	H11	108.494
H7	C4	H12	108.494	H8	C5	H13	108.494
H8	C5	H14	108.494	H9	C3	H10	108.585
H11	C4	H12	108.585	H13	C5	H14	108.585

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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