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	hartrees
Energy at 0K	-158.297091
Energy at 298.15K	-158.290334
HF Energy	-158.473486
Nuclear repulsion energy	134.191506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2986	95.55
2	A₁	3028	2922	12.25
3	A₁	3001	2896	16.08
4	A₁	1513	1460	12.21
5	A₁	1430	1380	1.62
6	A₁	1213	1170	0.29
7	A₁	798	770	0.45
8	A₁	431	415	0.25
9	A₂	3093	2984	0.00
10	A₂	1481	1429	0.00
11	A₂	952	919	0.00
12	A₂	207	200	0.00
13	E	3098	2989	55.22
13	E	3098	2989	55.23
14	E	3085	2977	5.09
14	E	3085	2977	5.09
15	E	3020	2915	32.33
15	E	3020	2915	32.32
16	E	1508	1455	2.06
16	E	1508	1455	2.06
17	E	1487	1435	0.35
17	E	1487	1435	0.35
18	E	1399	1350	3.59
18	E	1399	1350	3.59
19	E	1359	1311	4.90
19	E	1359	1311	4.90
20	E	1193	1151	2.31
20	E	1193	1151	2.31
21	E	973	939	0.02
21	E	973	939	0.02
22	E	921	889	0.90
22	E	921	889	0.90
23	E	357	344	0.00
23	E	357	344	0.00
24	E	254	245	0.02
24	E	254	245	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.373
H2	0.000	0.000	1.472
C3	0.000	1.461	-0.096
C4	1.265	-0.730	-0.096
C5	-1.265	-0.730	-0.096
H6	0.000	1.520	-1.191
H7	1.316	-0.760	-1.191
H8	-1.316	-0.760	-1.191
H9	0.885	1.996	0.265
H10	-0.885	1.996	0.265
H11	1.286	-1.765	0.265
H12	2.171	-0.231	0.265
H13	-2.171	-0.231	0.265
H14	-1.286	-1.765	0.265

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0993	1.5342	1.5342	1.5342	2.1805	2.1804	2.1804	2.1861	2.1861	2.1861	2.1861	2.1861	2.1861
H2	1.0993		2.1429	2.1429	2.1429	3.0660	3.0660	3.0660	2.4950	2.4950	2.4950	2.4950	2.4950	2.4950
C3	1.5342	2.1429		2.5305	2.5305	1.0969	2.8042	2.8042	1.0952	1.0952	3.4911	2.7762	2.7762	3.4911
C4	1.5342	2.1429	2.5305		2.5305	2.8042	1.0969	2.8042	2.7762	3.4911	1.0952	1.0952	3.4911	2.7762
C5	1.5342	2.1429	2.5305	2.5305		2.8042	2.8042	1.0969	3.4911	2.7762	2.7762	3.4911	1.0952	1.0952
H6	2.1805	3.0660	1.0969	2.8042	2.8042		2.6321	2.6321	1.7689	1.7689	3.8155	3.1462	3.1462	3.8155
H7	2.1804	3.0660	2.8042	1.0969	2.8042	2.6321		2.6321	3.1462	3.8155	1.7689	1.7689	3.8155	3.1462
H8	2.1804	3.0660	2.8042	2.8042	1.0969	2.6321	2.6321		3.8155	3.1462	3.1462	3.8155	1.7689	1.7689
H9	2.1861	2.4950	1.0952	2.7762	3.4911	1.7689	3.1462	3.8155		1.7704	3.7818	2.5718	3.7818	4.3422
H10	2.1861	2.4950	1.0952	3.4911	2.7762	1.7689	3.8155	3.1462	1.7704		4.3422	3.7818	2.5718	3.7818
H11	2.1861	2.4950	3.4911	1.0952	2.7762	3.8155	1.7689	3.1462	3.7818	4.3422		1.7704	3.7818	2.5718
H12	2.1861	2.4950	2.7762	1.0952	3.4911	3.1462	1.7689	3.8155	2.5718	3.7818	1.7704		4.3422	3.7818
H13	2.1861	2.4950	2.7762	3.4911	1.0952	3.1462	3.8155	1.7689	3.7818	2.5718	3.7818	4.3422		1.7704
H14	2.1861	2.4950	3.4911	2.7762	1.0952	3.8155	3.1462	1.7689	4.3422	3.7818	2.5718	3.7818	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.814	C1	C3	H9	111.362
C1	C3	H10	111.362	C1	C4	H7	110.814
C1	C4	H11	111.362	C1	C4	H12	111.362
C1	C5	H8	110.814	C1	C5	H13	111.362
C1	C5	H14	111.362	H2	C1	C3	107.769
H2	C1	C4	107.769	H2	C1	C5	107.769
C3	C1	C4	111.118	C3	C1	C5	111.118
C4	C1	C5	111.118	H6	C3	H9	107.642
H6	C3	H10	107.642	H7	C4	H11	107.642
H7	C4	H12	107.642	H8	C5	H13	107.642
H8	C5	H14	107.642	H9	C3	H10	107.846
H11	C4	H12	107.846	H13	C5	H14	107.846

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

using model chemistry: G4

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: G4

States and conformations

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