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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

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


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8073 0.5132 0.2905   0.7657 0.5758 0.2856
C2 -0.5973 0.6687 -0.2768   -0.6395 0.6179 -0.2998
C3 -1.5213 -0.4875 0.1179   -1.4846 -0.5905 0.1148
F4 1.3797 -0.6673 -0.1710   1.4251 -0.5723 -0.1400
H5 1.4578 1.3563 -0.0108   1.3589 1.4550 -0.0304
H6 0.7821 0.4724 1.3978   0.7302 0.5607 1.3932
H7 -0.5243 0.7400 -1.3767   -0.5585 0.6670 -1.4003
H8 -1.0025 1.6349 0.0754   -1.1157 1.5615 0.0236
H9 -2.5151 -0.3869 -0.3451   -2.4774 -0.5717 -0.3607
H10 -1.0869 -1.4467 -0.2030   -0.9801 -1.5243 -0.1772
H11 -1.6603 -0.5312 1.2115   -1.6333 -0.6170 1.2077
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5228 2.5404 1.3907 1.1067 1.1083 2.1457 2.1401 3.5003 2.7699 2.8334
C2 1.5228 1.5318 2.3885 2.1833 2.1784 1.1046 1.1053 2.1902 2.1726 2.1875
C3 2.5404 1.5318 2.9209 3.5058 2.8045 2.1758 2.1852 1.1009 1.1008 1.1033
F4 1.3907 2.3885 2.9209 2.0314 2.0291 2.6569 3.3220 3.9088 2.5870 3.3424
H5 1.1067 2.1833 3.5058 2.0314 1.7949 2.4848 2.4775 4.3513 3.7906 3.8444
H6 1.1083 2.1784 2.8045 2.0291 1.7949 3.0782 2.5069 3.8271 3.1206 2.6471
H7 2.1457 1.1046 2.1758 2.6569 2.4848 3.0782 1.7714 2.5094 2.5446 3.0992
H8 2.1401 1.1053 2.1852 3.3220 2.4775 2.5069 1.7714 2.5597 3.0952 2.5329
H9 3.5003 2.1902 1.1009 3.9088 4.3513 3.8271 2.5094 2.5597 1.7841 1.7817
H10 2.7699 2.1726 1.1008 2.5870 3.7906 3.1206 2.5446 3.0952 1.7841 1.7799
H11 2.8334 2.1875 1.1033 3.3424 3.8444 2.6471 3.0992 2.5329 1.7817 1.7799
Maximum atom distance is 4.3513Å 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 112.537 C2 C1 F4 110.043
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.457 C1 C2 H8 107.984
C2 C1 H5 111.275 C2 C1 H6 110.792
C2 C3 H9 111.544 C2 C3 H10 110.152
C2 C3 H11 111.183 C3 C2 H7 110.188
C3 C2 H8 110.887 F4 C1 H5 108.321
F4 C1 H6 108.043 H5 C1 H6 108.266
H7 C2 H8 106.567 H9 C3 H10 108.253
H9 C3 H11 107.863 H10 C3 H11 107.708

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