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	hartrees
Energy at 0K	-158.122299
Energy at 298.15K	-158.115497
HF Energy	-157.298978
Nuclear repulsion energy	134.791061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3072	150.77
2	A₁	3199	3014	12.13
3	A₁	3180	2996	21.37
4	A₁	1660	1564	12.12
5	A₁	1581	1489	2.35
6	A₁	1326	1249	0.02
7	A₁	849	800	0.31
8	A₁	464	437	0.09
9	A₂	3254	3066	0.00
10	A₂	1629	1535	0.00
11	A₂	1044	984	0.00
12	A₂	228	214	0.00
13	E	3260	3072	86.33
13	E	3260	3072	86.33
14	E	3247	3060	5.77
14	E	3247	3060	5.77
15	E	3189	3005	41.61
15	E	3189	3005	41.61
16	E	1652	1557	2.11
16	E	1652	1557	2.11
17	E	1635	1540	0.25
17	E	1635	1540	0.25
18	E	1557	1467	4.62
18	E	1557	1467	4.62
19	E	1494	1408	3.39
19	E	1494	1408	3.39
20	E	1300	1225	2.04
20	E	1300	1225	2.04
21	E	1048	987	0.00
21	E	1048	987	0.00
22	E	1006	948	0.57
22	E	1006	948	0.57
23	E	391	368	0.02
23	E	391	368	0.02
24	E	280	263	0.00
24	E	280	263	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
H2	0.000	0.000	1.475
C3	0.000	1.450	-0.096
C4	1.256	-0.725	-0.096
C5	-1.256	-0.725	-0.096
H6	0.000	1.493	-1.191
H7	1.293	-0.747	-1.191
H8	-1.293	-0.747	-1.191
H9	0.886	1.984	0.261
H10	-0.886	1.984	0.261
H11	1.276	-1.759	0.261
H12	2.161	-0.225	0.261
H13	-2.161	-0.225	0.261
H14	-1.276	-1.759	0.261

	C1	H2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.0982	1.5254	1.5254	1.5254	2.1654	2.1654	2.1654	2.1759	2.1759	2.1759	2.1759	2.1759	2.1759
H2	1.0982		2.1384	2.1384	2.1384	3.0560	3.0560	3.0560	2.4890	2.4890	2.4890	2.4890	2.4890	2.4890
C3	1.5254	2.1384		2.5116	2.5116	1.0954	2.7743	2.7743	1.0943	1.0943	3.4718	2.7577	2.7577	3.4718
C4	1.5254	2.1384	2.5116		2.5116	2.7743	1.0954	2.7743	2.7577	3.4718	1.0943	1.0943	3.4718	2.7577
C5	1.5254	2.1384	2.5116	2.5116		2.7743	2.7743	1.0954	3.4718	2.7577	2.7577	3.4718	1.0943	1.0943
H6	2.1654	3.0560	1.0954	2.7743	2.7743		2.5866	2.5866	1.7703	1.7703	3.7834	3.1198	3.1198	3.7834
H7	2.1654	3.0560	2.7743	1.0954	2.7743	2.5866		2.5866	3.1198	3.7834	1.7703	1.7703	3.7834	3.1198
H8	2.1654	3.0560	2.7743	2.7743	1.0954	2.5866	2.5866		3.7834	3.1198	3.1198	3.7834	1.7703	1.7703
H9	2.1759	2.4890	1.0943	2.7577	3.4718	1.7703	3.1198	3.7834		1.7711	3.7635	2.5512	3.7635	4.3223
H10	2.1759	2.4890	1.0943	3.4718	2.7577	1.7703	3.7834	3.1198	1.7711		4.3223	3.7635	2.5512	3.7635
H11	2.1759	2.4890	3.4718	1.0943	2.7577	3.7834	1.7703	3.1198	3.7635	4.3223		1.7711	3.7635	2.5512
H12	2.1759	2.4890	2.7577	1.0943	3.4718	3.1198	1.7703	3.7834	2.5512	3.7635	1.7711		4.3223	3.7635
H13	2.1759	2.4890	2.7577	3.4718	1.0943	3.1198	3.7834	1.7703	3.7635	2.5512	3.7635	4.3223		1.7711
H14	2.1759	2.4890	3.4718	2.7577	1.0943	3.7834	3.1198	1.7703	4.3223	3.7635	2.5512	3.7635	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H6	110.901	C1	C3	H9	111.282
C1	C3	H10	111.282	C1	C4	H7	110.901
C1	C4	H11	111.282	C1	C4	H12	111.282
C1	C5	H8	110.901	C1	C5	H13	111.282
C1	C5	H14	111.282	H2	C1	C3	107.851
H2	C1	C4	107.851	H2	C1	C5	107.851
C3	C1	C4	111.042	C3	C1	C5	111.042
C4	C1	C5	111.042	H6	C3	H9	107.713
H6	C3	H10	107.713	H7	C4	H11	107.713
H7	C4	H12	107.713	H8	C5	H13	107.713
H8	C5	H14	107.713	H9	C3	H10	107.783
H11	C4	H12	107.783	H13	C5	H14	107.783

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

using model chemistry: G3MP2

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: G3MP2

States and conformations

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