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Geometry for C(CH3)3 (Tert-butyl radical) 2A" C3V

1910171554
InChI=1S/C4H9/c1-4(2)3/h1-3H3 INChIKey=IIVWHGMLFGNMOW-UHFFFAOYSA-N

HF/6-31G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1732   0.0000 0.0000 -0.1732
C2 0.0000 1.4924 -0.0198   1.4924 -0.0000 0.0198
C3 1.2925 -0.7462 -0.0198   -0.7462 1.2925 0.0198
C4 -1.2925 -0.7462 -0.0198   -0.7462 -1.2925 0.0198
H5 0.0000 1.7607 -1.0782   1.7607 -0.0000 1.0782
H6 1.5248 -0.8804 -1.0782   -0.8804 1.5248 1.0782
H7 -1.5248 -0.8804 -1.0782   -0.8804 -1.5248 1.0782
H8 -0.8776 1.9495 0.4252   1.9495 -0.8776 -0.4252
H9 0.8776 1.9495 0.4252   1.9495 0.8776 -0.4252
H10 2.1271 -0.2147 0.4252   -0.2147 2.1271 -0.4252
H11 1.2495 -1.7348 0.4252   -1.7348 1.2495 -0.4252
H12 -1.2495 -1.7348 0.4252   -1.7348 -1.2495 -0.4252
H13 -2.1271 -0.2147 0.4252   -0.2147 -2.1271 -0.4252
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5049 1.5049 1.5049 2.1601 2.1601 2.1601 2.1527 2.1527 2.1527 2.1527 2.1527 2.1527
C2 1.5049 2.5850 2.5850 1.0919 3.0126 3.0126 1.0849 1.0849 2.7635 3.4891 3.4891 2.7635
C3 1.5049 2.5850 2.5850 3.0126 1.0919 3.0126 3.4891 2.7635 1.0849 1.0849 2.7635 3.4891
C4 1.5049 2.5850 2.5850 3.0126 3.0126 1.0919 2.7635 3.4891 3.4891 2.7635 1.0849 1.0849
H5 2.1601 1.0919 3.0126 3.0126 3.0496 3.0496 1.7510 1.7510 3.2691 4.0050 4.0050 3.2691
H6 2.1601 3.0126 1.0919 3.0126 3.0496 3.0496 4.0050 3.2691 1.7510 1.7510 3.2691 4.0050
H7 2.1601 3.0126 3.0126 1.0919 3.0496 3.0496 3.2691 4.0050 4.0050 3.2691 1.7510 1.7510
H8 2.1527 1.0849 3.4891 2.7635 1.7510 4.0050 3.2691 1.7552 3.7029 4.2542 3.7029 2.4990
H9 2.1527 1.0849 2.7635 3.4891 1.7510 3.2691 4.0050 1.7552 2.4990 3.7029 4.2542 3.7029
H10 2.1527 2.7635 1.0849 3.4891 3.2691 1.7510 4.0050 3.7029 2.4990 1.7552 3.7029 4.2542
H11 2.1527 3.4891 1.0849 2.7635 4.0050 1.7510 3.2691 4.2542 3.7029 1.7552 2.4990 3.7029
H12 2.1527 3.4891 2.7635 1.0849 4.0050 3.2691 1.7510 3.7029 4.2542 3.7029 2.4990 1.7552
H13 2.1527 2.7635 3.4891 1.0849 3.2691 4.0050 1.7510 2.4990 3.7029 4.2542 3.7029 1.7552
Maximum atom distance is 4.2542Å between atoms H10 and H13.
picture of Tert-butyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 118.382 C2 C1 C4 118.382
C3 C1 C4 118.382
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.587 C1 C2 H8 111.419
C1 C2 H9 111.419 C1 C3 H6 111.587
C1 C3 H10 111.419 C1 C3 H11 111.419
C1 C4 H7 111.587 C1 C4 H12 111.419
C1 C4 H13 111.419 H5 C2 H8 107.102
H5 C2 H9 107.102 H6 C3 H10 107.102
H6 C3 H11 107.102 H7 C4 H12 107.102
H7 C4 H13 107.102 H8 C2 H9 107.980
H10 C3 H11 107.980 H12 C4 H13 107.980

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