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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/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1239 -0.7763 0.0000   0.6146 -0.4903 0.0000
C2 0.0000 0.7338 0.0000   -0.4943 0.5423 0.0000
C3 -1.4688 1.1658 0.0000   -1.8709 -0.1278 0.0000
F4 1.4729 -1.1565 0.0000   1.8676 0.1375 0.0000
H5 -0.3385 -1.2102 0.8920   0.5651 -1.1224 0.8920
H6 -0.3385 -1.2102 -0.8920   0.5651 -1.1224 -0.8920
H7 0.5117 1.1283 -0.8828   -0.3819 1.1786 -0.8828
H8 0.5117 1.1283 0.8828   -0.3819 1.1786 0.8828
H9 -1.5534 2.2547 0.0000   -2.6669 0.6200 0.0000
H10 -1.9900 0.7889 -0.8852   -2.0022 -0.7574 -0.8852
H11 -1.9900 0.7889 0.8852   -2.0022 -0.7574 0.8852
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5152 2.5117 1.4015 1.0944 1.0944 2.1348 2.1348 3.4642 2.7753 2.7753
C2 1.5152 1.5310 2.3964 2.1655 2.1655 1.0940 1.0940 2.1739 2.1787 2.1787
C3 2.5117 1.5310 3.7479 2.7783 2.7783 2.1687 2.1687 1.0922 1.0942 1.0942
F4 1.4015 2.3964 3.7479 2.0198 2.0198 2.6313 2.6313 4.5601 4.0694 4.0694
H5 1.0944 2.1655 2.7783 2.0198 1.7840 3.0564 2.4883 3.7785 3.1436 2.5931
H6 1.0944 2.1655 2.7783 2.0198 1.7840 2.4883 3.0564 3.7785 2.5931 3.1436
H7 2.1348 1.0940 2.1687 2.6313 3.0564 2.4883 1.7657 2.5125 2.5246 3.0821
H8 2.1348 1.0940 2.1687 2.6313 2.4883 3.0564 1.7657 2.5125 3.0821 2.5246
H9 3.4642 2.1739 1.0922 4.5601 3.7785 3.7785 2.5125 2.5125 1.7671 1.7671
H10 2.7753 2.1787 1.0942 4.0694 3.1436 2.5931 2.5246 3.0821 1.7671 1.7704
H11 2.7753 2.1787 1.0942 4.0694 2.5931 3.1436 3.0821 2.5246 1.7671 1.7704
Maximum atom distance is 4.5601Å 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 111.081 C2 C1 F4 110.429
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.733 C1 C2 H8 108.733
C2 C1 H5 111.134 C2 C1 H6 111.134
C2 C3 H9 110.829 C2 C3 H10 111.086
C2 C3 H11 111.086 C3 C2 H7 110.301
C3 C2 H8 110.301 F4 C1 H5 107.407
F4 C1 H6 107.407 H5 C1 H6 109.185
H7 C2 H8 107.601 H9 C3 H10 107.851
H9 C3 H11 107.851 H10 C3 H11 107.997

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