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Geometry for C3F8 (perfluoropropane) 1A1 C2V

1910171554
InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11 INChIKey=QYSGYZVSCZSLHT-UHFFFAOYSA-N

HF/3-21G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5899   0.5899 0.0000 0.0000
C2 0.0000 1.2667 -0.2264   -0.2264 0.0000 1.2667
C3 0.0000 -1.2667 -0.2264   -0.2264 0.0000 -1.2667
F4 1.1094 0.0000 1.3698   1.3698 1.1094 0.0000
F5 -1.1094 0.0000 1.3698   1.3698 -1.1094 0.0000
F6 0.0000 2.3260 0.5902   0.5902 0.0000 2.3260
F7 0.0000 -2.3260 0.5902   0.5902 0.0000 -2.3260
F8 1.0889 1.3131 -1.0028   -1.0028 1.0889 1.3131
F9 -1.0889 1.3131 -1.0028   -1.0028 -1.0889 1.3131
F10 -1.0889 -1.3131 -1.0028   -1.0028 -1.0889 -1.3131
F11 1.0889 -1.3131 -1.0028   -1.0028 1.0889 -1.3131
Atom - Atom Distances (Å)
  C1 C2 C3 F4 F5 F6 F7 F8 F9 F10 F11
C1 1.5070 1.5070 1.3561 1.3561 2.3260 2.3260 2.3339 2.3339 2.3339 2.3339
C2 1.5070 2.5333 2.3202 2.3202 1.3376 3.6843 1.3381 1.3381 2.9058 2.9058
C3 1.5070 2.5333 2.3202 2.3202 3.6843 1.3376 2.9058 2.9058 1.3381 1.3381
F4 1.3561 2.3202 2.3202 2.2188 2.6924 2.6924 2.7119 3.4909 3.4909 2.7119
F5 1.3561 2.3202 2.3202 2.2188 2.6924 2.6924 3.4909 2.7119 2.7119 3.4909
F6 2.3260 1.3376 3.6843 2.6924 2.6924 4.6520 2.1793 2.1793 4.1191 4.1191
F7 2.3260 3.6843 1.3376 2.6924 2.6924 4.6520 4.1191 4.1191 2.1793 2.1793
F8 2.3339 1.3381 2.9058 2.7119 3.4909 2.1793 4.1191 2.1777 3.4117 2.6263
F9 2.3339 1.3381 2.9058 3.4909 2.7119 2.1793 4.1191 2.1777 2.6263 3.4117
F10 2.3339 2.9058 1.3381 3.4909 2.7119 4.1191 2.1793 3.4117 2.6263 2.1777
F11 2.3339 2.9058 1.3381 2.7119 3.4909 4.1191 2.1793 2.6263 3.4117 2.1777
Maximum atom distance is 4.6520Å between atoms F6 and F7.
picture of perfluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 109.570 C1 C2 F8 110.091
C1 C2 F9 110.091 C1 C3 F7 109.570
C1 C3 F10 110.091 C1 C3 F11 110.091
C2 C1 C3 114.394 C2 C1 F4 108.153
C2 C1 F5 108.153 C3 C1 F4 108.153
C3 C1 F5 108.153 F4 C1 F5 109.788
F6 C2 F8 109.070 F6 C2 F9 109.070
F7 C3 F10 109.070 F7 C3 F11 109.070
F8 C2 F9 108.923 F10 C3 F11 108.923

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