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Geometry for CH2FCH2CH3 (1-Fluoropropane) 1A C1 gauche

1910171554
InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3 INChIKey=JRHNUZCXXOTJCA-UHFFFAOYSA-N

HF/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8108 0.4962 0.2924   0.7717 0.5577 0.2874
C2 -0.5845 0.6618 -0.2748   -0.6247 0.6132 -0.2982
C3 -1.5259 -0.4757 0.1165   -1.4914 -0.5754 0.1135
F4 1.3710 -0.6564 -0.1721   1.4143 -0.5657 -0.1406
H5 1.4529 1.3206 0.0002   1.3599 1.4161 -0.0199
H6 0.7894 0.4416 1.3768   0.7411 0.5296 1.3727
H7 -0.5127 0.7285 -1.3574   -0.5446 0.6568 -1.3814
H8 -0.9769 1.6141 0.0758   -1.0850 1.5453 0.0231
H9 -2.5092 -0.3317 -0.3197   -2.4769 -0.5100 -0.3364
H10 -1.1393 -1.4286 -0.2270   -1.0370 -1.5082 -0.2007
H11 -1.6448 -0.5313 1.1956   -1.6191 -0.6112 1.1923
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5153 2.5369 1.3631 1.0850 1.0860 2.1277 2.1196 3.4759 2.7888 2.8109
C2 1.5153 1.5275 2.3605 2.1589 2.1597 1.0870 1.0881 2.1664 2.1633 2.1702
C3 2.5369 1.5275 2.9168 3.4805 2.7912 2.1562 2.1611 1.0852 1.0842 1.0870
F4 1.3631 2.3605 2.9168 1.9862 1.9857 2.6213 3.2756 3.8965 2.6270 3.3137
H5 1.0850 2.1589 3.4805 1.9862 1.7629 2.4612 2.4487 4.3047 3.7854 3.8018
H6 1.0860 2.1597 2.7912 1.9857 1.7629 3.0420 2.4875 3.7890 3.1289 2.6277
H7 2.1277 1.0870 2.1562 2.6213 2.4612 3.0420 1.7476 2.4874 2.5147 3.0637
H8 2.1196 1.0881 2.1611 3.2756 2.4487 2.4875 1.7476 2.5081 3.0621 2.5105
H9 3.4759 2.1664 1.0852 3.8965 4.3047 3.7890 2.4874 2.5081 1.7573 1.7558
H10 2.7888 2.1633 1.0842 2.6270 3.7854 3.1289 2.5147 3.0621 1.7573 1.7562
H11 2.8109 2.1702 1.0870 3.3137 3.8018 2.6277 3.0637 2.5105 1.7558 1.7562
Maximum atom distance is 4.3047Å between atoms H5 and H9.
picture of 1-Fluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.968 C2 C1 F4 110.077
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.581 C1 C2 H8 107.885
C2 C1 H5 111.171 C2 C1 H6 111.173
C2 C3 H9 110.891 C2 C3 H10 110.706
C2 C3 H11 111.088 C3 C2 H7 109.974
C3 C2 H8 110.299 F4 C1 H5 107.908
F4 C1 H6 107.807 H5 C1 H6 108.584
H7 C2 H8 106.925 H9 C3 H10 108.200
H9 C3 H11 107.863 H10 C3 H11 107.970

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