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	hartrees
Energy at 0K	-157.936398
Energy at 298.15K	-157.947179
HF Energy	-157.315439
Nuclear repulsion energy	135.068571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3006	88.83
2	A₁	3107	2918	24.86
3	A₁	3104	2916	4.64
4	A₁	1560	1465	19.25
5	A₁	1471	1381	5.00
6	A₁	1248	1172	0.04
7	A₁	829	779	0.39
8	A₁	440	414	0.03
9	A₂	3203	3008	0.00
10	A₂	1527	1434	0.00
11	A₂	980	920	0.00
12	A₂	216	203	0.00
13	E	3206	3011	49.28
13	E	3206	3011	49.28
14	E	3194	3000	6.49
14	E	3194	3000	6.49
15	E	3102	2914	37.76
15	E	3102	2914	37.76
16	E	1551	1457	5.27
16	E	1551	1457	5.27
17	E	1534	1441	0.53
17	E	1534	1441	0.53
18	E	1445	1357	9.14
18	E	1445	1357	9.14
19	E	1395	1310	1.86
19	E	1395	1310	1.86
20	E	1230	1155	1.11
20	E	1230	1155	1.11
21	E	1013	952	0.04
21	E	1013	952	0.04
22	E	948	891	0.61
22	E	948	891	0.61
23	E	373	350	0.07
23	E	373	350	0.07
24	E	272	256	0.02
24	E	272	256	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
H2	0.000	0.000	1.471
C3	0.000	1.450	-0.096
C4	1.256	-0.725	-0.096
C5	-1.256	-0.725	-0.096
H6	0.000	1.492	-1.187
H7	1.292	-0.746	-1.187
H8	-1.292	-0.746	-1.187
H9	0.882	1.982	0.260
H10	-0.882	1.982	0.260
H11	1.275	-1.755	0.260
H12	2.157	-0.227	0.260
H13	-2.157	-0.227	0.260
H14	-1.275	-1.755	0.260

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0943	1.5250	1.5250	1.5250	2.1613	2.1613	2.1613	2.1723	2.1723	2.1723	2.1723	2.1723	2.1723
H2	1.0943		2.1350	2.1350	2.1350	3.0481	3.0481	3.0481	2.4844	2.4844	2.4844	2.4844	2.4844	2.4844
C3	1.5250	2.1350		2.5112	2.5112	1.0915	2.7715	2.7715	1.0900	1.0900	3.4674	2.7552	2.7552	3.4674
C4	1.5250	2.1350	2.5112		2.5112	2.7715	1.0915	2.7715	2.7552	3.4674	1.0900	1.0900	3.4674	2.7552
C5	1.5250	2.1350	2.5112	2.5112		2.7715	2.7715	1.0915	3.4674	2.7552	2.7552	3.4674	1.0900	1.0900
H6	2.1613	3.0481	1.0915	2.7715	2.7715		2.5844	2.5844	1.7639	1.7639	3.7765	3.1146	3.1146	3.7765
H7	2.1613	3.0481	2.7715	1.0915	2.7715	2.5844		2.5844	3.1146	3.7765	1.7639	1.7639	3.7765	3.1146
H8	2.1613	3.0481	2.7715	2.7715	1.0915	2.5844	2.5844		3.7765	3.1146	3.1146	3.7765	1.7639	1.7639
H9	2.1723	2.4844	1.0900	2.7552	3.4674	1.7639	3.1146	3.7765		1.7648	3.7570	2.5497	3.7570	4.3145
H10	2.1723	2.4844	1.0900	3.4674	2.7552	1.7639	3.7765	3.1146	1.7648		4.3145	3.7570	2.5497	3.7570
H11	2.1723	2.4844	3.4674	1.0900	2.7552	3.7765	1.7639	3.1146	3.7570	4.3145		1.7648	3.7570	2.5497
H12	2.1723	2.4844	2.7552	1.0900	3.4674	3.1146	1.7639	3.7765	2.5497	3.7570	1.7648		4.3145	3.7570
H13	2.1723	2.4844	2.7552	3.4674	1.0900	3.1146	3.7765	1.7639	3.7570	2.5497	3.7570	4.3145		1.7648
H14	2.1723	2.4844	3.4674	2.7552	1.0900	3.7765	3.1146	1.7639	4.3145	3.7570	2.5497	3.7570	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.284	C1	C3	H9	111.252
C1	C3	H10	111.252	C1	C4	H7	110.284
C1	C4	H11	111.252	C1	C4	H12	111.252
C1	C5	H8	110.284	C1	C5	H13	111.252
C1	C5	H14	111.252	H2	C1	C3	108.065
H2	C1	C4	108.065	H2	C1	C5	108.065
C3	C1	C4	110.840	C3	C1	C5	110.840
C4	C1	C5	110.840	H6	C3	H9	107.908
H6	C3	H10	107.908	H7	C4	H11	107.908
H7	C4	H12	107.908	H8	C5	H13	107.908
H8	C5	H14	107.908	H9	C3	H10	108.104
H11	C4	H12	108.104	H13	C5	H14	108.104

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

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