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	hartrees
Energy at 0K	-157.959937
Energy at 298.15K	-157.970747
HF Energy	-157.314427
Nuclear repulsion energy	134.835467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	2986	94.81
2	A₁	3127	2910	12.21
3	A₁	3119	2902	16.04
4	A₁	1580	1470	12.43
5	A₁	1491	1388	2.39
6	A₁	1262	1174	0.01
7	A₁	832	774	0.37
8	A₁	441	411	0.06
9	A₂	3210	2987	0.00
10	A₂	1550	1442	0.00
11	A₂	989	920	0.00
12	A₂	221	206	0.00
13	E	3214	2991	52.55
13	E	3214	2991	52.55
14	E	3201	2979	6.76
14	E	3201	2979	6.76
15	E	3121	2905	29.70
15	E	3121	2905	29.70
16	E	1573	1464	2.31
16	E	1573	1464	2.31
17	E	1555	1447	0.39
17	E	1555	1447	0.39
18	E	1468	1366	5.40
18	E	1468	1366	5.40
19	E	1418	1319	2.31
19	E	1418	1319	2.31
20	E	1242	1156	1.20
20	E	1242	1156	1.20
21	E	1018	947	0.12
21	E	1018	947	0.12
22	E	955	889	0.70
22	E	955	889	0.70
23	E	374	348	0.02
23	E	374	348	0.02
24	E	272	253	0.01
24	E	272	253	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	1.455	-0.096
C4	1.260	-0.727	-0.096
C5	-1.260	-0.727	-0.096
H6	0.000	1.502	-1.186
H7	1.301	-0.751	-1.186
H8	-1.301	-0.751	-1.186
H9	0.882	1.985	0.262
H10	-0.882	1.985	0.262
H11	1.278	-1.756	0.262
H12	2.160	-0.229	0.262
H13	-2.160	-0.229	0.262
H14	-1.278	-1.756	0.262

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0937	1.5288	1.5288	1.5288	2.1658	2.1658	2.1658	2.1751	2.1751	2.1751	2.1751	2.1751	2.1751
H2	1.0937		2.1359	2.1359	2.1359	3.0496	3.0496	3.0496	2.4848	2.4848	2.4848	2.4848	2.4848	2.4848
C3	1.5288	2.1359		2.5195	2.5195	1.0910	2.7829	2.7829	1.0894	1.0894	3.4744	2.7620	2.7620	3.4744
C4	1.5288	2.1359	2.5195		2.5195	2.7829	1.0910	2.7829	2.7620	3.4744	1.0894	1.0894	3.4744	2.7620
C5	1.5288	2.1359	2.5195	2.5195		2.7829	2.7829	1.0910	3.4744	2.7620	2.7620	3.4744	1.0894	1.0894
H6	2.1658	3.0496	1.0910	2.7829	2.7829		2.6015	2.6015	1.7625	1.7625	3.7875	3.1238	3.1238	3.7875
H7	2.1658	3.0496	2.7829	1.0910	2.7829	2.6015		2.6015	3.1238	3.7875	1.7625	1.7625	3.7875	3.1238
H8	2.1658	3.0496	2.7829	2.7829	1.0910	2.6015	2.6015		3.7875	3.1238	3.1238	3.7875	1.7625	1.7625
H9	2.1751	2.4848	1.0894	2.7620	3.4744	1.7625	3.1238	3.7875		1.7634	3.7624	2.5568	3.7624	4.3202
H10	2.1751	2.4848	1.0894	3.4744	2.7620	1.7625	3.7875	3.1238	1.7634		4.3202	3.7624	2.5568	3.7624
H11	2.1751	2.4848	3.4744	1.0894	2.7620	3.7875	1.7625	3.1238	3.7624	4.3202		1.7634	3.7624	2.5568
H12	2.1751	2.4848	2.7620	1.0894	3.4744	3.1238	1.7625	3.7875	2.5568	3.7624	1.7634		4.3202	3.7624
H13	2.1751	2.4848	2.7620	3.4744	1.0894	3.1238	3.7875	1.7625	3.7624	2.5568	3.7624	4.3202		1.7634
H14	2.1751	2.4848	3.4744	2.7620	1.0894	3.7875	3.1238	1.7625	4.3202	3.7624	2.5568	3.7624	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.409	C1	C3	H9	111.250
C1	C3	H10	111.250	C1	C4	H7	110.409
C1	C4	H11	111.250	C1	C4	H12	111.250
C1	C5	H8	110.409	C1	C5	H13	111.250
C1	C5	H14	111.250	H2	C1	C3	107.920
H2	C1	C4	107.920	H2	C1	C5	107.920
C3	C1	C4	110.977	C3	C1	C5	110.977
C4	C1	C5	110.977	H6	C3	H9	107.866
H6	C3	H10	107.866	H7	C4	H11	107.866
H7	C4	H12	107.866	H8	C5	H13	107.866
H8	C5	H14	107.866	H9	C3	H10	108.061
H11	C4	H12	108.061	H13	C5	H14	108.061

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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