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	hartrees
Energy at 0K	-157.910070
Energy at 298.15K	-157.920884
HF Energy	-157.314343
Nuclear repulsion energy	135.002949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3007	82.20
2	A₁	3118	2920	18.16
3	A₁	3114	2917	7.86
4	A₁	1574	1474	13.32
5	A₁	1480	1386	2.69
6	A₁	1256	1176	0.04
7	A₁	832	779	0.49
8	A₁	441	413	0.11
9	A₂	3212	3008	0.00
10	A₂	1543	1445	0.00
11	A₂	984	922	0.00
12	A₂	225	211	0.00
13	E	3215	3011	46.23
13	E	3215	3011	46.23
14	E	3205	3001	5.41
14	E	3205	3001	5.41
15	E	3113	2915	28.47
15	E	3113	2915	28.47
16	E	1567	1468	2.59
16	E	1567	1468	2.59
17	E	1548	1450	0.41
17	E	1548	1450	0.41
18	E	1454	1361	5.57
18	E	1454	1361	5.57
19	E	1406	1317	2.26
19	E	1406	1317	2.26
20	E	1238	1159	1.24
20	E	1238	1159	1.24
21	E	1017	952	0.20
21	E	1017	952	0.20
22	E	952	891	1.03
22	E	952	891	1.03
23	E	374	350	0.01
23	E	374	350	0.01
24	E	278	260	0.01
24	E	278	260	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.376
H2	0.000	0.000	1.471
C3	0.000	1.451	-0.096
C4	1.256	-0.725	-0.096
C5	-1.256	-0.725	-0.096
H6	0.000	1.495	-1.187
H7	1.294	-0.747	-1.187
H8	-1.294	-0.747	-1.187
H9	0.882	1.983	0.261
H10	-0.882	1.983	0.261
H11	1.276	-1.756	0.261
H12	2.158	-0.227	0.261
H13	-2.158	-0.227	0.261
H14	-1.276	-1.756	0.261

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0947	1.5257	1.5257	1.5257	2.1625	2.1625	2.1625	2.1732	2.1732	2.1732	2.1732	2.1732	2.1732
H2	1.0947		2.1354	2.1354	2.1354	3.0490	3.0490	3.0490	2.4847	2.4847	2.4847	2.4847	2.4847	2.4847
C3	1.5257	2.1354		2.5130	2.5130	1.0916	2.7745	2.7745	1.0903	1.0903	3.4692	2.7569	2.7569	3.4692
C4	1.5257	2.1354	2.5130		2.5130	2.7745	1.0916	2.7745	2.7569	3.4692	1.0903	1.0903	3.4692	2.7569
C5	1.5257	2.1354	2.5130	2.5130		2.7745	2.7745	1.0916	3.4692	2.7569	2.7569	3.4692	1.0903	1.0903
H6	2.1625	3.0490	1.0916	2.7745	2.7745		2.5889	2.5889	1.7640	1.7640	3.7797	3.1172	3.1172	3.7797
H7	2.1625	3.0490	2.7745	1.0916	2.7745	2.5889		2.5889	3.1172	3.7798	1.7640	1.7640	3.7798	3.1172
H8	2.1625	3.0490	2.7745	2.7745	1.0916	2.5889	2.5889		3.7798	3.1172	3.1172	3.7798	1.7640	1.7640
H9	2.1732	2.4847	1.0903	2.7569	3.4692	1.7640	3.1172	3.7798		1.7649	3.7587	2.5514	3.7587	4.3164
H10	2.1732	2.4847	1.0903	3.4692	2.7569	1.7640	3.7798	3.1172	1.7649		4.3164	3.7587	2.5514	3.7587
H11	2.1732	2.4847	3.4692	1.0903	2.7569	3.7797	1.7640	3.1172	3.7587	4.3164		1.7649	3.7587	2.5514
H12	2.1732	2.4847	2.7569	1.0903	3.4692	3.1172	1.7640	3.7798	2.5514	3.7587	1.7649		4.3164	3.7587
H13	2.1732	2.4847	2.7569	3.4692	1.0903	3.1172	3.7798	1.7640	3.7587	2.5514	3.7587	4.3164		1.7649
H14	2.1732	2.4847	3.4692	2.7569	1.0903	3.7797	3.1172	1.7640	4.3164	3.7587	2.5514	3.7587	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.324	C1	C3	H9	111.255
C1	C3	H10	111.255	C1	C4	H7	110.325
C1	C4	H11	111.255	C1	C4	H12	111.255
C1	C5	H8	110.325	C1	C5	H13	111.255
C1	C5	H14	111.255	H2	C1	C3	108.023
H2	C1	C4	108.023	H2	C1	C5	108.023
C3	C1	C4	110.880	C3	C1	C5	110.880
C4	C1	C5	110.880	H6	C3	H9	107.897
H6	C3	H10	107.897	H7	C4	H11	107.897
H7	C4	H12	107.897	H8	C5	H13	107.897
H8	C5	H14	107.897	H9	C3	H10	108.078
H11	C4	H12	108.078	H13	C5	H14	108.078

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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