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Geometry for (CH3)3CC(CH3)3 (tetramethylbutane) 1A1 D3D

1910171554
InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3 INChIKey=OMMLUKLXGSRPHK-UHFFFAOYSA-N

PBEPBEultrafine/cc-pVTZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7952   0.0000 -0.7952 -0.0000
C2 0.0000 0.0000 -0.7952   -0.0000 0.7952 0.0000
C3 0.0000 1.4358 1.3589   1.4358 -1.3589 -0.0000
C4 -1.2434 -0.7179 1.3589   -0.7179 -1.3589 1.2434
C5 1.2434 -0.7179 1.3589   -0.7179 -1.3589 -1.2434
C6 0.0000 -1.4358 -1.3589   -1.4358 1.3589 0.0000
C7 -1.2434 0.7179 -1.3589   0.7179 1.3589 1.2434
C8 1.2434 0.7179 -1.3589   0.7179 1.3589 -1.2434
H9 0.0000 1.3994 2.4583   1.3994 -2.4583 -0.0000
H10 -0.8895 2.0029 1.0529   2.0029 -1.0529 0.8895
H11 0.8895 2.0029 1.0529   2.0029 -1.0529 -0.8895
H12 -1.2119 -0.6997 2.4583   -0.6997 -2.4583 1.2119
H13 -1.2899 -1.7718 1.0529   -1.7718 -1.0529 1.2899
H14 -2.1793 -0.2312 1.0529   -0.2312 -1.0529 2.1793
H15 1.2119 -0.6997 2.4583   -0.6997 -2.4583 -1.2119
H16 2.1793 -0.2312 1.0529   -0.2312 -1.0529 -2.1793
H17 1.2899 -1.7718 1.0529   -1.7718 -1.0529 -1.2899
H18 0.0000 -1.3994 -2.4583   -1.3994 2.4583 0.0000
H19 -0.8895 -2.0029 -1.0529   -2.0029 1.0529 0.8895
H20 0.8895 -2.0029 -1.0529   -2.0029 1.0529 -0.8895
H21 -1.2119 0.6997 -2.4583   0.6997 2.4583 1.2119
H22 -1.2899 1.7718 -1.0529   1.7718 1.0529 1.2899
H23 -2.1793 0.2312 -1.0529   0.2312 1.0529 2.1793
H24 1.2119 0.6997 -2.4583   0.6997 2.4583 -1.2119
H25 2.1793 0.2312 -1.0529   0.2312 1.0529 -2.1793
H26 1.2899 1.7718 -1.0529   1.7718 1.0529 -1.2899
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 C8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22 H23 H24 H25 H26
C1 1.5903 1.5425 1.5425 1.5425 2.5887 2.5887 2.5887 2.1735 2.2066 2.2066 2.1735 2.2066 2.2066 2.1735 2.2066 2.2066 3.5416 2.8667 2.8667 3.5416 2.8667 2.8667 3.5416 2.8667 2.8667
C2 1.5903 2.5887 2.5887 2.5887 1.5425 1.5425 1.5425 3.5416 2.8667 2.8667 3.5416 2.8667 2.8667 3.5416 2.8667 2.8667 2.1735 2.2066 2.2066 2.1735 2.2066 2.2066 2.1735 2.2066 2.2066
C3 1.5425 2.5887 2.4869 2.4869 3.9538 3.0737 3.0737 1.1000 1.0984 1.0984 2.6903 3.4707 2.7608 2.6903 2.7608 3.4707 4.7549 4.2933 4.2933 4.0720 2.7556 3.4666 4.0720 3.4666 2.7556
C4 1.5425 2.5887 2.4869 2.4869 3.0737 3.0737 3.9538 2.6903 2.7608 3.4707 1.1000 1.0984 1.0984 2.6903 3.4707 2.7608 4.0720 2.7556 3.4666 4.0720 3.4666 2.7556 4.7549 4.2933 4.2933
C5 1.5425 2.5887 2.4869 2.4869 3.0737 3.9538 3.0737 2.6903 3.4707 2.7608 2.6903 2.7608 3.4707 1.1000 1.0984 1.0984 4.0720 3.4666 2.7556 4.7549 4.2933 4.2933 4.0720 2.7556 3.4666
C6 2.5887 1.5425 3.9538 3.0737 3.0737 2.4869 2.4869 4.7549 4.2933 4.2933 4.0720 2.7556 3.4666 4.0720 3.4666 2.7556 1.1000 1.0984 1.0984 2.6903 3.4707 2.7608 2.6903 2.7608 3.4707
C7 2.5887 1.5425 3.0737 3.0737 3.9538 2.4869 2.4869 4.0720 2.7556 3.4666 4.0720 3.4666 2.7556 4.7549 4.2933 4.2933 2.6903 2.7608 3.4707 1.1000 1.0984 1.0984 2.6903 3.4707 2.7608
C8 2.5887 1.5425 3.0737 3.9538 3.0737 2.4869 2.4869 4.0720 3.4666 2.7556 4.7549 4.2933 4.2933 4.0720 2.7556 3.4666 2.6903 3.4707 2.7608 2.6903 2.7608 3.4707 1.1000 1.0984 1.0984
H9 2.1735 3.5416 1.1000 2.6903 2.6903 4.7549 4.0720 4.0720 1.7693 1.7693 2.4238 3.7007 3.0632 2.4238 3.0632 3.7007 5.6573 4.9694 4.9694 5.1118 3.7591 4.2945 5.1118 4.2945 3.7591
H10 2.2066 2.8667 1.0984 2.7608 3.4707 4.2933 2.7556 3.4666 1.7693 1.7789 3.0632 3.7959 2.5797 3.7007 3.7959 4.3586 4.9694 4.5256 4.8627 3.7591 2.1559 3.0393 4.2945 4.1220 3.0393
H11 2.2066 2.8667 1.0984 3.4707 2.7608 4.2933 3.4666 2.7556 1.7693 1.7789 3.7007 4.3586 3.7959 3.0632 2.5797 3.7959 4.9694 4.8627 4.5256 4.2945 3.0393 4.1220 3.7591 3.0393 2.1559
H12 2.1735 3.5416 2.6903 1.1000 2.6903 4.0720 4.0720 4.7549 2.4238 3.0632 3.7007 1.7693 1.7693 2.4238 3.7007 3.0632 5.1118 3.7591 4.2945 5.1118 4.2945 3.7591 5.6573 4.9694 4.9694
H13 2.2066 2.8667 3.4707 1.0984 2.7608 2.7556 3.4666 4.2933 3.7007 3.7959 4.3586 1.7693 1.7789 3.0632 3.7959 2.5797 3.7591 2.1559 3.0393 4.2945 4.1220 3.0393 4.9694 4.5256 4.8627
H14 2.2066 2.8667 2.7608 1.0984 3.4707 3.4666 2.7556 4.2933 3.0632 2.5797 3.7959 1.7693 1.7789 3.7007 4.3586 3.7959 4.2945 3.0393 4.1220 3.7591 3.0393 2.1559 4.9694 4.8627 4.5256
H15 2.1735 3.5416 2.6903 2.6903 1.1000 4.0720 4.7549 4.0720 2.4238 3.7007 3.0632 2.4238 3.0632 3.7007 1.7693 1.7693 5.1118 4.2945 3.7591 5.6573 4.9694 4.9694 5.1118 3.7591 4.2945
H16 2.2066 2.8667 2.7608 3.4707 1.0984 3.4666 4.2933 2.7556 3.0632 3.7959 2.5797 3.7007 3.7959 4.3586 1.7693 1.7789 4.2945 4.1220 3.0393 4.9694 4.5256 4.8627 3.7591 2.1559 3.0393
H17 2.2066 2.8667 3.4707 2.7608 1.0984 2.7556 4.2933 3.4666 3.7007 4.3586 3.7959 3.0632 2.5797 3.7959 1.7693 1.7789 3.7591 3.0393 2.1559 4.9694 4.8627 4.5256 4.2945 3.0393 4.1220
H18 3.5416 2.1735 4.7549 4.0720 4.0720 1.1000 2.6903 2.6903 5.6573 4.9694 4.9694 5.1118 3.7591 4.2945 5.1118 4.2945 3.7591 1.7693 1.7693 2.4238 3.7007 3.0632 2.4238 3.0632 3.7007
H19 2.8667 2.2066 4.2933 2.7556 3.4666 1.0984 2.7608 3.4707 4.9694 4.5256 4.8627 3.7591 2.1559 3.0393 4.2945 4.1220 3.0393 1.7693 1.7789 3.0632 3.7959 2.5797 3.7007 3.7959 4.3586
H20 2.8667 2.2066 4.2933 3.4666 2.7556 1.0984 3.4707 2.7608 4.9694 4.8627 4.5256 4.2945 3.0393 4.1220 3.7591 3.0393 2.1559 1.7693 1.7789 3.7007 4.3586 3.7959 3.0632 2.5797 3.7959
H21 3.5416 2.1735 4.0720 4.0720 4.7549 2.6903 1.1000 2.6903 5.1118 3.7591 4.2945 5.1118 4.2945 3.7591 5.6573 4.9694 4.9694 2.4238 3.0632 3.7007 1.7693 1.7693 2.4238 3.7007 3.0632
H22 2.8667 2.2066 2.7556 3.4666 4.2933 3.4707 1.0984 2.7608 3.7591 2.1559 3.0393 4.2945 4.1220 3.0393 4.9694 4.5256 4.8627 3.7007 3.7959 4.3586 1.7693 1.7789 3.0632 3.7959 2.5797
H23 2.8667 2.2066 3.4666 2.7556 4.2933 2.7608 1.0984 3.4707 4.2945 3.0393 4.1220 3.7591 3.0393 2.1559 4.9694 4.8627 4.5256 3.0632 2.5797 3.7959 1.7693 1.7789 3.7007 4.3586 3.7959
H24 3.5416 2.1735 4.0720 4.7549 4.0720 2.6903 2.6903 1.1000 5.1118 4.2945 3.7591 5.6573 4.9694 4.9694 5.1118 3.7591 4.2945 2.4238 3.7007 3.0632 2.4238 3.0632 3.7007 1.7693 1.7693
H25 2.8667 2.2066 3.4666 4.2933 2.7556 2.7608 3.4707 1.0984 4.2945 4.1220 3.0393 4.9694 4.5256 4.8627 3.7591 2.1559 3.0393 3.0632 3.7959 2.5797 3.7007 3.7959 4.3586 1.7693 1.7789
H26 2.8667 2.2066 2.7556 4.2933 3.4666 3.4707 2.7608 1.0984 3.7591 3.0393 2.1559 4.9694 4.8627 4.5256 4.2945 3.0393 4.1220 3.7007 4.3586 3.7959 3.0632 2.5797 3.7959 1.7693 1.7789
Maximum atom distance is 5.6573Å between atoms H12 and H24.
picture of tetramethylbutane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C6 111.435 C1 C2 C7 111.435
C1 C2 C8 111.435 C2 C1 C3 111.435
C2 C1 C4 111.435 C2 C1 C5 111.435
C3 C1 C4 107.438 C3 C1 C5 107.438
C4 C1 C5 107.438 C6 C2 C7 107.438
C6 C2 C8 107.438 C7 C2 C8 107.438
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 109.538 C1 C3 H10 112.261
C1 C3 H11 112.261 C1 C4 H12 109.538
C1 C4 H13 112.261 C1 C4 H14 112.261
C1 C5 H15 109.538 C1 C5 H16 112.261
C1 C5 H17 112.261 C2 C6 H18 109.538
C2 C6 H19 112.261 C2 C6 H20 112.261
C2 C7 H21 109.538 C2 C7 H22 112.261
C2 C7 H23 112.261 C2 C8 H24 109.538
C2 C8 H25 112.261 C2 C8 H26 112.261
H9 C3 H10 107.189 H9 C3 H11 107.189
H10 C3 H11 108.154 H12 C4 H13 107.189
H12 C4 H14 107.189 H13 C4 H14 108.154
H15 C5 H16 107.189 H15 C5 H17 107.189
H16 C5 H17 108.154 H18 C6 H19 107.189
H18 C6 H20 107.189 H19 C6 H20 108.154
H21 C7 H22 107.189 H21 C7 H23 107.189
H22 C7 H23 108.154 H24 C8 H25 107.189
H24 C8 H26 107.189 H25 C8 H26 108.154

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.