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	hartrees
Energy at 0K	-157.992713
Energy at 298.15K	-158.003452
HF Energy	-157.321091
Nuclear repulsion energy	134.936940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3012	56.94
2	A₁	3097	2925	16.34
3	A₁	3093	2921	2.99
4	A₁	1545	1459	15.21
5	A₁	1446	1366	3.53
6	A₁	1227	1159	0.44
7	A₁	826	780	0.66
8	A₁	430	407	0.26
9	A₂	3189	3012	0.00
10	A₂	1511	1427	0.00
11	A₂	963	910	0.00
12	A₂	219	207	0.00
13	E	3192	3015	32.40
13	E	3192	3015	32.40
14	E	3182	3006	4.44
14	E	3182	3006	4.44
15	E	3093	2921	22.46
15	E	3093	2921	22.46
16	E	1537	1452	3.07
16	E	1537	1452	3.07
17	E	1517	1433	0.36
17	E	1517	1433	0.36
18	E	1419	1341	7.36
18	E	1419	1341	7.36
19	E	1376	1300	2.40
19	E	1376	1300	2.40
20	E	1217	1149	1.87
20	E	1217	1149	1.87
21	E	1003	947	0.32
21	E	1003	947	0.32
22	E	933	881	1.47
22	E	933	881	1.47
23	E	363	343	0.00
23	E	363	343	0.00
24	E	273	258	0.02
24	E	273	258	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
H2	0.000	0.000	1.478
C3	0.000	1.449	-0.097
C4	1.255	-0.725	-0.097
C5	-1.255	-0.725	-0.097
H6	0.000	1.490	-1.189
H7	1.290	-0.745	-1.189
H8	-1.290	-0.745	-1.189
H9	0.883	1.985	0.257
H10	-0.883	1.985	0.257
H11	1.277	-1.757	0.257
H12	2.161	-0.227	0.257
H13	-2.161	-0.227	0.257
H14	-1.277	-1.757	0.257

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0960	1.5266	1.5266	1.5266	2.1657	2.1657	2.1657	2.1761	2.1761	2.1761	2.1761	2.1761	2.1761
H2	1.0960		2.1405	2.1405	2.1405	3.0556	3.0556	3.0556	2.4924	2.4924	2.4924	2.4924	2.4924	2.4924
C3	1.5266	2.1405		2.5104	2.5104	1.0933	2.7701	2.7701	1.0918	1.0918	3.4699	2.7576	2.7576	3.4699
C4	1.5266	2.1405	2.5104		2.5104	2.7701	1.0933	2.7701	2.7576	3.4699	1.0918	1.0918	3.4699	2.7576
C5	1.5266	2.1405	2.5104	2.5104		2.7701	2.7701	1.0933	3.4699	2.7576	2.7576	3.4699	1.0918	1.0918
H6	2.1657	3.0556	1.0933	2.7701	2.7701		2.5804	2.5804	1.7655	1.7655	3.7772	3.1157	3.1157	3.7772
H7	2.1657	3.0556	2.7701	1.0933	2.7701	2.5804		2.5804	3.1157	3.7772	1.7655	1.7655	3.7772	3.1157
H8	2.1657	3.0556	2.7701	2.7701	1.0933	2.5804	2.5804		3.7772	3.1157	3.1157	3.7772	1.7655	1.7655
H9	2.1761	2.4924	1.0918	2.7576	3.4699	1.7655	3.1157	3.7772		1.7669	3.7629	2.5542	3.7629	4.3211
H10	2.1761	2.4924	1.0918	3.4699	2.7576	1.7655	3.7772	3.1157	1.7669		4.3211	3.7629	2.5542	3.7629
H11	2.1761	2.4924	3.4699	1.0918	2.7576	3.7772	1.7655	3.1157	3.7629	4.3211		1.7669	3.7629	2.5542
H12	2.1761	2.4924	2.7576	1.0918	3.4699	3.1157	1.7655	3.7772	2.5542	3.7629	1.7669		4.3211	3.7629
H13	2.1761	2.4924	2.7576	3.4699	1.0918	3.1157	3.7772	1.7655	3.7629	2.5542	3.7629	4.3211		1.7669
H14	2.1761	2.4924	3.4699	2.7576	1.0918	3.7772	3.1157	1.7655	4.3211	3.7629	2.5542	3.7629	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.414	C1	C3	H9	111.338
C1	C3	H10	111.338	C1	C4	H7	110.414
C1	C4	H11	111.338	C1	C4	H12	111.338
C1	C5	H8	110.414	C1	C5	H13	111.338
C1	C5	H14	111.338	H2	C1	C3	108.296
H2	C1	C4	108.296	H2	C1	C5	108.296
C3	C1	C4	110.621	C3	C1	C5	110.621
C4	C1	C5	110.621	H6	C3	H9	107.788
H6	C3	H10	107.788	H7	C4	H11	107.788
H7	C4	H12	107.788	H8	C5	H13	107.788
H8	C5	H14	107.788	H9	C3	H10	108.024
H11	C4	H12	108.024	H13	C5	H14	108.024

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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