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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

HF/LANL2DZ


Point group is D3d
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7948   0.7948 0.0000 0.0000
C2 0.0000 0.0000 -0.7948   -0.7948 0.0000 0.0000
C3 0.0000 1.4415 1.3679   1.3679 1.4415 -0.0000
C4 -1.2483 -0.7207 1.3679   1.3679 -0.7207 -1.2483
C5 1.2483 -0.7207 1.3679   1.3679 -0.7207 1.2483
C6 0.0000 -1.4415 -1.3679   -1.3679 -1.4415 0.0000
C7 -1.2483 0.7207 -1.3679   -1.3679 0.7207 -1.2483
C8 1.2483 0.7207 -1.3679   -1.3679 0.7207 1.2483
H9 0.0000 1.3992 2.4526   2.4526 1.3992 -0.0000
H10 -0.8775 2.0010 1.0679   1.0679 2.0010 -0.8775
H11 0.8775 2.0010 1.0679   1.0679 2.0010 0.8775
H12 -1.2118 -0.6996 2.4526   2.4526 -0.6996 -1.2118
H13 -1.2942 -1.7604 1.0679   1.0679 -1.7604 -1.2942
H14 -2.1716 -0.2406 1.0679   1.0679 -0.2406 -2.1716
H15 1.2118 -0.6996 2.4526   2.4526 -0.6996 1.2118
H16 2.1716 -0.2406 1.0679   1.0679 -0.2406 2.1716
H17 1.2942 -1.7604 1.0679   1.0679 -1.7604 1.2942
H18 0.0000 -1.3992 -2.4526   -2.4526 -1.3992 0.0000
H19 -0.8775 -2.0010 -1.0679   -1.0679 -2.0010 -0.8775
H20 0.8775 -2.0010 -1.0679   -1.0679 -2.0010 0.8775
H21 -1.2118 0.6996 -2.4526   -2.4526 0.6996 -1.2118
H22 -1.2942 1.7604 -1.0679   -1.0679 1.7604 -1.2942
H23 -2.1716 0.2406 -1.0679   -1.0679 0.2406 -2.1716
H24 1.2118 0.6996 -2.4526   -2.4526 0.6996 1.2118
H25 2.1716 0.2406 -1.0679   -1.0679 0.2406 2.1716
H26 1.2942 1.7604 -1.0679   -1.0679 1.7604 1.2942
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 1.5896 1.5512 1.5512 1.5512 2.5991 2.5991 2.5991 2.1694 2.2019 2.2019 2.1694 2.2019 2.2019 2.1694 2.2019 2.2019 3.5361 2.8712 2.8712 3.5361 2.8712 2.8712 3.5361 2.8712 2.8712
C2 1.5896 2.5991 2.5991 2.5991 1.5512 1.5512 1.5512 3.5361 2.8712 2.8712 3.5361 2.8712 2.8712 3.5361 2.8712 2.8712 2.1694 2.2019 2.2019 2.1694 2.2019 2.2019 2.1694 2.2019 2.2019
C3 1.5512 2.5991 2.4967 2.4967 3.9744 3.0923 3.0923 1.0856 1.0831 1.0831 2.6887 3.4665 2.7632 2.6887 2.7632 3.4665 4.7609 4.3074 4.3074 4.0762 2.7767 3.4773 4.0762 3.4773 2.7767
C4 1.5512 2.5991 2.4967 2.4967 3.0923 3.0923 3.9744 2.6887 2.7632 3.4665 1.0856 1.0831 1.0831 2.6887 3.4665 2.7632 4.0762 2.7767 3.4773 4.0762 3.4773 2.7767 4.7609 4.3074 4.3074
C5 1.5512 2.5991 2.4967 2.4967 3.0923 3.9744 3.0923 2.6887 3.4665 2.7632 2.6887 2.7632 3.4665 1.0856 1.0831 1.0831 4.0762 3.4773 2.7767 4.7609 4.3074 4.3074 4.0762 2.7767 3.4773
C6 2.5991 1.5512 3.9744 3.0923 3.0923 2.4967 2.4967 4.7609 4.3074 4.3074 4.0762 2.7767 3.4773 4.0762 3.4773 2.7767 1.0856 1.0831 1.0831 2.6887 3.4665 2.7632 2.6887 2.7632 3.4665
C7 2.5991 1.5512 3.0923 3.0923 3.9744 2.4967 2.4967 4.0762 2.7767 3.4773 4.0762 3.4773 2.7767 4.7609 4.3074 4.3074 2.6887 2.7632 3.4665 1.0856 1.0831 1.0831 2.6887 3.4665 2.7632
C8 2.5991 1.5512 3.0923 3.9744 3.0923 2.4967 2.4967 4.0762 3.4773 2.7767 4.7609 4.3074 4.3074 4.0762 2.7767 3.4773 2.6887 3.4665 2.7632 2.6887 2.7632 3.4665 1.0856 1.0831 1.0831
H9 2.1694 3.5361 1.0856 2.6887 2.6887 4.7609 4.0762 4.0762 1.7463 1.7463 2.4235 3.6845 3.0533 2.4235 3.0533 3.6845 5.6474 4.9725 4.9725 5.1009 3.7683 4.2957 5.1009 4.2957 3.7683
H10 2.2019 2.8712 1.0831 2.7632 3.4665 4.3074 2.7767 3.4773 1.7463 1.7549 3.0533 3.7844 2.5883 3.6845 3.7844 4.3433 4.9725 4.5363 4.8639 3.7683 2.1894 3.0555 4.2957 4.1180 3.0555
H11 2.2019 2.8712 1.0831 3.4665 2.7632 4.3074 3.4773 2.7767 1.7463 1.7549 3.6845 4.3433 3.7844 3.0533 2.5883 3.7844 4.9725 4.8639 4.5363 4.2957 3.0555 4.1180 3.7683 3.0555 2.1894
H12 2.1694 3.5361 2.6887 1.0856 2.6887 4.0762 4.0762 4.7609 2.4235 3.0533 3.6845 1.7463 1.7463 2.4235 3.6845 3.0533 5.1009 3.7683 4.2957 5.1009 4.2957 3.7683 5.6474 4.9725 4.9725
H13 2.2019 2.8712 3.4665 1.0831 2.7632 2.7767 3.4773 4.3074 3.6845 3.7844 4.3433 1.7463 1.7549 3.0533 3.7844 2.5883 3.7683 2.1894 3.0555 4.2957 4.1180 3.0555 4.9725 4.5363 4.8639
H14 2.2019 2.8712 2.7632 1.0831 3.4665 3.4773 2.7767 4.3074 3.0533 2.5883 3.7844 1.7463 1.7549 3.6845 4.3433 3.7844 4.2957 3.0555 4.1180 3.7683 3.0555 2.1894 4.9725 4.8639 4.5363
H15 2.1694 3.5361 2.6887 2.6887 1.0856 4.0762 4.7609 4.0762 2.4235 3.6845 3.0533 2.4235 3.0533 3.6845 1.7463 1.7463 5.1009 4.2957 3.7683 5.6474 4.9725 4.9725 5.1009 3.7683 4.2957
H16 2.2019 2.8712 2.7632 3.4665 1.0831 3.4773 4.3074 2.7767 3.0533 3.7844 2.5883 3.6845 3.7844 4.3433 1.7463 1.7549 4.2957 4.1180 3.0555 4.9725 4.5363 4.8639 3.7683 2.1894 3.0555
H17 2.2019 2.8712 3.4665 2.7632 1.0831 2.7767 4.3074 3.4773 3.6845 4.3433 3.7844 3.0533 2.5883 3.7844 1.7463 1.7549 3.7683 3.0555 2.1894 4.9725 4.8639 4.5363 4.2957 3.0555 4.1180
H18 3.5361 2.1694 4.7609 4.0762 4.0762 1.0856 2.6887 2.6887 5.6474 4.9725 4.9725 5.1009 3.7683 4.2957 5.1009 4.2957 3.7683 1.7463 1.7463 2.4235 3.6845 3.0533 2.4235 3.0533 3.6845
H19 2.8712 2.2019 4.3074 2.7767 3.4773 1.0831 2.7632 3.4665 4.9725 4.5363 4.8639 3.7683 2.1894 3.0555 4.2957 4.1180 3.0555 1.7463 1.7549 3.0533 3.7844 2.5883 3.6845 3.7844 4.3433
H20 2.8712 2.2019 4.3074 3.4773 2.7767 1.0831 3.4665 2.7632 4.9725 4.8639 4.5363 4.2957 3.0555 4.1180 3.7683 3.0555 2.1894 1.7463 1.7549 3.6845 4.3433 3.7844 3.0533 2.5883 3.7844
H21 3.5361 2.1694 4.0762 4.0762 4.7609 2.6887 1.0856 2.6887 5.1009 3.7683 4.2957 5.1009 4.2957 3.7683 5.6474 4.9725 4.9725 2.4235 3.0533 3.6845 1.7463 1.7463 2.4235 3.6845 3.0533
H22 2.8712 2.2019 2.7767 3.4773 4.3074 3.4665 1.0831 2.7632 3.7683 2.1894 3.0555 4.2957 4.1180 3.0555 4.9725 4.5363 4.8639 3.6845 3.7844 4.3433 1.7463 1.7549 3.0533 3.7844 2.5883
H23 2.8712 2.2019 3.4773 2.7767 4.3074 2.7632 1.0831 3.4665 4.2957 3.0555 4.1180 3.7683 3.0555 2.1894 4.9725 4.8639 4.5363 3.0533 2.5883 3.7844 1.7463 1.7549 3.6845 4.3433 3.7844
H24 3.5361 2.1694 4.0762 4.7609 4.0762 2.6887 2.6887 1.0856 5.1009 4.2957 3.7683 5.6474 4.9725 4.9725 5.1009 3.7683 4.2957 2.4235 3.6845 3.0533 2.4235 3.0533 3.6845 1.7463 1.7463
H25 2.8712 2.2019 3.4773 4.3074 2.7767 2.7632 3.4665 1.0831 4.2957 4.1180 3.0555 4.9725 4.5363 4.8639 3.7683 2.1894 3.0555 3.0533 3.7844 2.5883 3.6845 3.7844 4.3433 1.7463 1.7549
H26 2.8712 2.2019 2.7767 4.3074 3.4773 3.4665 2.7632 1.0831 3.7683 3.0555 2.1894 4.9725 4.8639 4.5363 4.2957 3.0555 4.1180 3.6845 4.3433 3.7844 3.0533 2.5883 3.7844 1.7463 1.7549
Maximum atom distance is 5.6474Å 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 111.682 C1 C2 C7 111.682
C1 C2 C8 111.682 C2 C1 C3 111.682
C2 C1 C4 111.682 C2 C1 C5 111.682
C3 C1 C4 107.173 C3 C1 C5 107.173
C4 C1 C5 107.173 C6 C2 C7 107.173
C6 C2 C8 107.173 C7 C2 C8 107.173
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H9 109.453 C1 C3 H10 112.194
C1 C3 H11 112.194 C1 C4 H12 109.453
C1 C4 H13 112.194 C1 C4 H14 112.194
C1 C5 H15 109.453 C1 C5 H16 112.194
C1 C5 H17 112.194 C2 C6 H18 109.453
C2 C6 H19 112.194 C2 C6 H20 112.194
C2 C7 H21 109.453 C2 C7 H22 112.194
C2 C7 H23 112.194 C2 C8 H24 109.453
C2 C8 H25 112.194 C2 C8 H26 112.194
H9 C3 H10 107.269 H9 C3 H11 107.269
H10 C3 H11 108.226 H12 C4 H13 107.269
H12 C4 H14 107.269 H13 C4 H14 108.226
H15 C5 H16 107.269 H15 C5 H17 107.269
H16 C5 H17 108.226 H18 C6 H19 107.269
H18 C6 H20 107.269 H19 C6 H20 108.226
H21 C7 H22 107.269 H21 C7 H23 107.269
H22 C7 H23 108.226 H24 C8 H25 107.269
H24 C8 H26 107.269 H25 C8 H26 108.226

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