return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for Si(CH3)4 (tetramethylsilane) 1A1 TD

1910171554
InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3 INChIKey=CZDYPVPMEAXLPK-UHFFFAOYSA-N

wB97X-D/6-31G*


Point group is Td
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Si1 0.0000 0.0000 0.0000   0.0000 0.0000 0.0000
C2 1.0871 1.0871 1.0871   1.5196 0.3640 1.0507
C3 -1.0871 -1.0871 1.0871   0.4893 -1.0911 -1.4546
C4 -1.0871 1.0871 -1.0871   -1.2882 -0.8895 1.0464
C5 1.0871 -1.0871 -1.0871   -0.7207 1.6166 -0.6425
H6 1.7349 0.4850 1.7349   2.2920 0.8829 0.4712
H7 1.7349 1.7349 0.4850   1.2702 0.9988 1.9088
H8 0.4850 1.7349 1.7349   1.9658 -0.5576 1.4420
H9 -1.7349 -1.7349 0.4850   -0.3739 -1.3232 -2.0890
H10 -0.4850 -1.7349 1.7349   1.2400 -0.6026 -2.0866
H11 -1.7349 -0.4850 1.7349   0.9138 -2.0432 -1.1158
H12 -1.7349 0.4850 -1.7349   -2.1887 -1.1174 0.4644
H13 -1.7349 1.7349 -0.4850   -0.9009 -1.8374 1.4377
H14 -0.4850 1.7349 -1.7349   -1.5965 -0.2810 1.9045
H15 1.7349 -1.7349 -0.4850   0.0046 2.1618 -1.2575
H16 0.4850 -1.7349 -1.7349   -1.6093 1.4413 -1.2599
H17 1.7349 -0.4850 -1.7349   -1.0171 2.2777 0.1801
Atom - Atom Distances (Å)
  Si1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17
Si1 1.8830 1.8830 1.8830 1.8830 2.5009 2.5009 2.5009 2.5009 2.5009 2.5009 2.5009 2.5009 2.5009 2.5009 2.5009 2.5009
C2 1.8830 3.0749 3.0749 3.0749 1.0962 1.0962 1.0962 4.0361 3.2947 3.2947 4.0361 3.2947 3.2947 3.2947 4.0361 3.2947
C3 1.8830 3.0749 3.0749 3.0749 3.2947 4.0361 3.2947 1.0962 1.0962 1.0962 3.2947 3.2947 4.0361 3.2947 3.2947 4.0361
C4 1.8830 3.0749 3.0749 3.0749 4.0361 3.2947 3.2947 3.2947 4.0361 3.2947 1.0962 1.0962 1.0962 4.0361 3.2947 3.2947
C5 1.8830 3.0749 3.0749 3.0749 3.2947 3.2947 4.0361 3.2947 3.2947 4.0361 3.2947 4.0361 3.2947 1.0962 1.0962 1.0962
H6 2.5009 1.0962 3.2947 4.0361 3.2947 1.7675 1.7675 4.3045 3.1394 3.6028 4.9069 4.3045 4.3045 3.1394 4.3045 3.6028
H7 2.5009 1.0962 4.0361 3.2947 3.2947 1.7675 1.7675 4.9069 4.3045 4.3045 4.3045 3.6028 3.1394 3.6028 4.3045 3.1394
H8 2.5009 1.0962 3.2947 3.2947 4.0361 1.7675 1.7675 4.3045 3.6028 3.1394 4.3045 3.1394 3.6028 4.3045 4.9069 4.3045
H9 2.5009 4.0361 1.0962 3.2947 3.2947 4.3045 4.9069 4.3045 1.7675 1.7675 3.1394 3.6028 4.3045 3.6028 3.1394 4.3045
H10 2.5009 3.2947 1.0962 4.0361 3.2947 3.1394 4.3045 3.6028 1.7675 1.7675 4.3045 4.3045 4.9069 3.1394 3.6028 4.3045
H11 2.5009 3.2947 1.0962 3.2947 4.0361 3.6028 4.3045 3.1394 1.7675 1.7675 3.6028 3.1394 4.3045 4.3045 4.3045 4.9069
H12 2.5009 4.0361 3.2947 1.0962 3.2947 4.9069 4.3045 4.3045 3.1394 4.3045 3.6028 1.7675 1.7675 4.3045 3.1394 3.6028
H13 2.5009 3.2947 3.2947 1.0962 4.0361 4.3045 3.6028 3.1394 3.6028 4.3045 3.1394 1.7675 1.7675 4.9069 4.3045 4.3045
H14 2.5009 3.2947 4.0361 1.0962 3.2947 4.3045 3.1394 3.6028 4.3045 4.9069 4.3045 1.7675 1.7675 4.3045 3.6028 3.1394
H15 2.5009 3.2947 3.2947 4.0361 1.0962 3.1394 3.6028 4.3045 3.6028 3.1394 4.3045 4.3045 4.9069 4.3045 1.7675 1.7675
H16 2.5009 4.0361 3.2947 3.2947 1.0962 4.3045 4.3045 4.9069 3.1394 3.6028 4.3045 3.1394 4.3045 3.6028 1.7675 1.7675
H17 2.5009 3.2947 4.0361 3.2947 1.0962 3.6028 3.1394 4.3045 4.3045 4.3045 4.9069 3.6028 4.3045 3.1394 1.7675 1.7675
Maximum atom distance is 4.9069Å between atoms H6 and H12.
picture of tetramethylsilane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 Si1 C3 109.471 C2 Si1 C4 109.471
C2 Si1 C5 109.471 C3 Si1 C4 109.471
C3 Si1 C5 109.471 C4 Si1 C5 109.471
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Si1 C2 H6 111.418 Si1 C2 H7 111.418
Si1 C2 H8 111.418 Si1 C3 H9 111.418
Si1 C3 H10 111.418 Si1 C3 H11 111.418
Si1 C4 H12 111.418 Si1 C4 H13 111.418
Si1 C4 H14 111.418 Si1 C5 H15 111.418
Si1 C5 H16 111.418 Si1 C5 H17 111.418
H6 C2 H7 107.457 H6 C2 H8 107.457
H7 C2 H8 107.457 H9 C3 H10 107.457
H9 C3 H11 107.457 H10 C3 H11 107.457
H12 C4 H13 107.457 H12 C4 H14 107.457
H13 C4 H14 107.457 H15 C5 H16 107.457
H15 C5 H17 107.457 H16 C5 H17 107.457

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