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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

B2PLYP=FULLultrafine/6-31G*


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 0.0906 -0.6298 0.0000
C2 -0.6261 0.7334 0.0000
Cl3 1.8492 -0.4443 0.0000
F4 -0.2970 -1.3090 1.0910
F5 -0.2970 -1.3090 -1.0910
F6 -1.9479 0.5238 0.0000
F7 -0.2970 1.4321 1.0894
F8 -0.2970 1.4321 -1.0894
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 F6 F7 F8
C1 1.5401 1.7684 1.3423 1.3423 2.3422 2.3640 2.3640
C2 1.5401 2.7412 2.3388 2.3388 1.3383 1.3354 1.3354
Cl3 1.7684 2.7412 2.5582 2.5582 3.9186 3.0519 3.0519
F4 1.3423 2.3388 2.5582 2.1820 2.6971 2.7411 3.5026
F5 1.3423 2.3388 2.5582 2.1820 2.6971 3.5026 2.7411
F6 2.3422 1.3383 3.9186 2.6971 2.6971 2.1765 2.1765
F7 2.3640 1.3354 3.0519 2.7411 3.5026 2.1765 2.1789
F8 2.3640 1.3354 3.0519 3.5026 2.7411 2.1765 2.1789
Maximum atom distance is 3.9186Å 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 108.719 C1 C2 F7 110.392
C1 C2 F8 110.392 C2 C1 Cl3 111.711
C2 C1 F4 108.271 C2 C1 F5 108.271
Cl3 C1 F4 109.891 Cl3 C1 F5 109.891
F4 C1 F5 108.734 F6 C2 F7 108.986
F6 C2 F8 108.986 F7 C2 F8 109.333

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