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Geometry for C2H5F (fluoroethane) 1A' CS

1910171554
InChI=1S/C2H5F/c1-2-3/h2H2,1H3 INChIKey=UHCBBWUQDAVSMS-UHFFFAOYSA-N

mPW1PW91/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5679 0.0000   0.0881 -0.5611 0.0000
C2 1.1347 -0.4420 0.0000   -1.1895 0.2607 0.0000
F3 -1.2401 -0.1205 0.0000   1.2064 0.3114 0.0000
H4 0.0545 1.2063 0.8883   0.1333 -1.2001 0.8883
H5 0.0545 1.2063 -0.8883   0.1333 -1.2001 -0.8883
H6 2.1002 0.0715 0.0000   -2.0637 -0.3964 0.0000
H7 1.0718 -1.0777 0.8869   -1.2260 0.8984 0.8869
H8 1.0718 -1.0777 -0.8869   -1.2260 0.8984 -0.8869
Atom - Atom Distances (Å)
  C1 C2 F3 H4 H5 H6 H7 H8
C1 1.5191 1.4184 1.0952 1.0952 2.1581 2.1549 2.1549
C2 1.5191 2.3965 2.1617 2.1617 1.0936 1.0930 1.0930
F3 1.4184 2.3965 2.0555 2.0555 3.3459 2.6548 2.6548
H4 1.0952 2.1617 2.0555 1.7765 2.5024 2.5003 3.0664
H5 1.0952 2.1617 2.0555 1.7765 2.5024 3.0664 2.5003
H6 2.1581 1.0936 3.3459 2.5024 2.5024 1.7791 1.7791
H7 2.1549 1.0930 2.6548 2.5003 3.0664 1.7791 1.7739
H8 2.1549 1.0930 2.6548 3.0664 2.5003 1.7791 1.7739
Maximum atom distance is 3.3459Å between atoms F3 and H6.
picture of fluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 109.293
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 110.320 C1 C2 H7 110.101
C1 C2 H8 110.101 C2 C1 H4 110.509
C2 C1 H5 110.509 F3 C1 H4 109.048
F3 C1 H5 109.048 H4 C1 H5 108.401
H6 C2 H7 108.899 H6 C2 H8 108.899
H7 C2 H8 108.477

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