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	hartrees
Energy at 0K	-157.798558
Energy at 298.15K	-157.809427
HF Energy	-157.298777
Nuclear repulsion energy	134.911945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	2974	98.42
2	A₁	3145	2905	8.81
3	A₁	3131	2892	19.06
4	A₁	1605	1483	15.83
5	A₁	1522	1406	3.56
6	A₁	1286	1188	0.17
7	A₁	845	780	0.55
8	A₁	454	419	0.19
9	A₂	3218	2972	0.00
10	A₂	1574	1454	0.00
11	A₂	1008	931	0.00
12	A₂	226	209	0.00
13	E	3223	2977	56.07
13	E	3223	2977	56.07
14	E	3211	2966	5.23
14	E	3211	2966	5.22
15	E	3138	2898	30.63
15	E	3138	2898	30.64
16	E	1598	1476	3.48
16	E	1598	1476	3.48
17	E	1580	1460	0.41
17	E	1580	1460	0.41
18	E	1500	1386	8.79
18	E	1500	1386	8.78
19	E	1446	1335	1.68
19	E	1446	1335	1.68
20	E	1265	1168	1.75
20	E	1265	1168	1.76
21	E	1034	955	0.19
21	E	1034	955	0.19
22	E	975	900	1.16
22	E	975	900	1.16
23	E	383	354	0.01
23	E	383	354	0.01
24	E	277	256	0.01
24	E	277	256	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.374
H2	0.000	0.000	1.468
C3	0.000	1.452	-0.096
C4	1.258	-0.726	-0.096
C5	-1.258	-0.726	-0.096
H6	0.000	1.503	-1.187
H7	1.301	-0.751	-1.187
H8	-1.301	-0.751	-1.187
H9	0.882	1.984	0.263
H10	-0.882	1.984	0.263
H11	1.277	-1.756	0.263
H12	2.159	-0.228	0.263
H13	-2.159	-0.228	0.263
H14	-1.277	-1.756	0.263

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0942	1.5264	1.5264	1.5264	2.1669	2.1669	2.1669	2.1742	2.1742	2.1742	2.1742	2.1742	2.1742
H2	1.0942		2.1345	2.1345	2.1345	3.0511	3.0511	3.0511	2.4837	2.4837	2.4837	2.4837	2.4837	2.4837
C3	1.5264	2.1345		2.5151	2.5151	1.0920	2.7819	2.7819	1.0907	1.0907	3.4715	2.7594	2.7594	3.4715
C4	1.5264	2.1345	2.5151		2.5151	2.7819	1.0920	2.7819	2.7594	3.4715	1.0907	1.0907	3.4715	2.7594
C5	1.5264	2.1345	2.5151	2.5151		2.7819	2.7819	1.0920	3.4715	2.7594	2.7594	3.4715	1.0907	1.0907
H6	2.1669	3.0511	1.0920	2.7819	2.7819		2.6028	2.6028	1.7637	1.7637	3.7883	3.1240	3.1240	3.7883
H7	2.1669	3.0511	2.7819	1.0920	2.7819	2.6028		2.6028	3.1240	3.7883	1.7637	1.7637	3.7883	3.1240
H8	2.1669	3.0511	2.7819	2.7819	1.0920	2.6028	2.6028		3.7883	3.1240	3.1240	3.7883	1.7637	1.7637
H9	2.1742	2.4837	1.0907	2.7594	3.4715	1.7637	3.1240	3.7883		1.7643	3.7608	2.5543	3.7608	4.3186
H10	2.1742	2.4837	1.0907	3.4715	2.7594	1.7637	3.7883	3.1240	1.7643		4.3186	3.7608	2.5543	3.7608
H11	2.1742	2.4837	3.4715	1.0907	2.7594	3.7883	1.7637	3.1240	3.7608	4.3186		1.7643	3.7608	2.5543
H12	2.1742	2.4837	2.7594	1.0907	3.4715	3.1240	1.7637	3.7883	2.5543	3.7608	1.7643		4.3186	3.7608
H13	2.1742	2.4837	2.7594	3.4715	1.0907	3.1240	3.7883	1.7637	3.7608	2.5543	3.7608	4.3186		1.7643
H14	2.1742	2.4837	3.4715	2.7594	1.0907	3.7883	3.1240	1.7637	4.3186	3.7608	2.5543	3.7608	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.603	C1	C3	H9	111.264
C1	C3	H10	111.264	C1	C4	H7	110.603
C1	C4	H11	111.264	C1	C4	H12	111.264
C1	C5	H8	110.603	C1	C5	H13	111.264
C1	C5	H14	111.264	H2	C1	C3	107.945
H2	C1	C4	107.945	H2	C1	C5	107.945
C3	C1	C4	110.953	C3	C1	C5	110.953
C4	C1	C5	110.953	H6	C3	H9	107.807
H6	C3	H10	107.807	H7	C4	H11	107.807
H7	C4	H12	107.807	H8	C5	H13	107.807
H8	C5	H14	107.807	H9	C3	H10	107.946
H11	C4	H12	107.946	H13	C5	H14	107.946

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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