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Geometry for CH2FCH2CH3 (1-Fluoropropane) 1A' CS trans

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

MP4/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1283 -0.7752 0.0000   -0.6175 0.4859 0.0000
C2 0.0000 0.7327 0.0000   0.4941 -0.5411 0.0000
C3 -1.4691 1.1558 0.0000   1.8642 0.1372 0.0000
F4 1.4708 -1.1466 0.0000   -1.8593 -0.1452 0.0000
H5 -0.3376 -1.2092 0.8891   -0.5662 1.1205 0.8891
H6 -0.3376 -1.2092 -0.8891   -0.5662 1.1205 -0.8891
H7 0.5114 1.1311 -0.8797   0.3851 -1.1801 -0.8797
H8 0.5114 1.1311 0.8797   0.3851 -1.1801 0.8797
H9 -1.5628 2.2425 0.0000   2.6662 -0.6020 0.0000
H10 -1.9890 0.7761 -0.8830   1.9921 0.7681 -0.8830
H11 -1.9890 0.7761 0.8830   1.9921 0.7681 0.8830
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5134 2.5061 1.3930 1.0936 1.0936 2.1342 2.1342 3.4592 2.7693 2.7693
C2 1.5134 1.5288 2.3865 2.1623 2.1623 1.0928 1.0928 2.1729 2.1766 2.1766
C3 2.5061 1.5288 3.7342 2.7685 2.7685 2.1672 2.1672 1.0907 1.0928 1.0928
F4 1.3930 2.3865 3.7342 2.0161 2.0161 2.6234 2.6234 4.5484 4.0555 4.0555
H5 1.0936 2.1623 2.7685 2.0161 1.7782 3.0540 2.4896 3.7690 3.1320 2.5824
H6 1.0936 2.1623 2.7685 2.0161 1.7782 2.4896 3.0540 3.7690 2.5824 3.1320
H7 2.1342 1.0928 2.1672 2.6234 3.0540 2.4896 1.7595 2.5122 2.5254 3.0798
H8 2.1342 1.0928 2.1672 2.6234 2.4896 3.0540 1.7595 2.5122 3.0798 2.5254
H9 3.4592 2.1729 1.0907 4.5484 3.7690 3.7690 2.5122 2.5122 1.7639 1.7639
H10 2.7693 2.1766 1.0928 4.0555 3.1320 2.5824 2.5254 3.0798 1.7639 1.7661
H11 2.7693 2.1766 1.0928 4.0555 2.5824 3.1320 3.0798 2.5254 1.7639 1.7661
Maximum atom distance is 4.5484Å between atoms F4 and H9.
picture of 1-Fluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 110.929 C2 C1 F4 110.325
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.879 C1 C2 H8 108.879
C2 C1 H5 111.061 C2 C1 H6 111.061
C2 C3 H9 110.995 C2 C3 H10 111.162
C2 C3 H11 111.162 C3 C2 H7 110.414
C3 C2 H8 110.414 F4 C1 H5 107.743
F4 C1 H6 107.743 H5 C1 H6 108.786
H7 C2 H8 107.229 H9 C3 H10 107.776
H9 C3 H11 107.776 H10 C3 H11 107.811

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