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Geometry for CF3CF2Cl (pentafluorochloroethane) 1A' CS

1910171554
InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8 INChIKey=RFCAUADVODFSLZ-UHFFFAOYSA-N

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0898 -0.6343 0.0000   -0.4482 0.4577 0.0000
C2 -0.6265 0.7358 0.0000   0.9407 -0.2215 0.0000
Cl3 1.8487 -0.4424 0.0000   -1.7513 -0.7390 0.0000
F4 -0.2970 -1.3145 1.0893   -0.5396 1.2348 1.0893
F5 -0.2970 -1.3145 -1.0893   -0.5396 1.2348 -1.0893
F6 -1.9462 0.5323 0.0000   1.8831 0.7244 0.0000
F7 -0.2970 1.4323 1.0870   1.0879 -0.9778 1.0870
F8 -0.2970 1.4323 -1.0870   1.0879 -0.9778 -1.0870
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 F6 F7 F8
C1 1.5461 1.7693 1.3412 1.3412 2.3465 2.3669 2.3669
C2 1.5461 2.7413 2.3449 2.3449 1.3352 1.3324 1.3324
Cl3 1.7693 2.7413 2.5594 2.5594 3.9180 3.0496 3.0496
F4 1.3412 2.3449 2.5594 2.1785 2.7050 2.7468 3.5044
F5 1.3412 2.3449 2.5594 2.1785 2.7050 3.5044 2.7468
F6 2.3465 1.3352 3.9180 2.7050 2.7050 2.1706 2.1706
F7 2.3669 1.3324 3.0496 2.7468 3.5044 2.1706 2.1740
F8 2.3669 1.3324 3.0496 3.5044 2.7468 2.1706 2.1740
Maximum atom distance is 3.9180Å between atoms Cl3 and F6.
picture of pentafluorochloroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 108.836 C1 C2 F7 110.405
C1 C2 F8 110.405 C2 C1 Cl3 111.376
C2 C1 F4 108.408 C2 C1 F5 108.408
Cl3 C1 F4 109.981 Cl3 C1 F5 109.981
F4 C1 F5 108.618 F6 C2 F7 108.913
F6 C2 F8 108.913 F7 C2 F8 109.336

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