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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

TPSSh/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7943 0.5173 0.2997   -0.8335 0.4684 0.2723
C2 -0.5976 0.6505 -0.2864   0.5534 0.6819 -0.3017
C3 -1.5390 -0.4844 0.1186   1.5679 -0.3679 0.1534
F4 1.4116 -0.6553 -0.1702   -1.3585 -0.7608 -0.1640
H5 1.4358 1.3534 0.0079   -1.5291 1.2459 -0.0558
H6 0.7659 0.4452 1.3916   -0.8156 0.4354 1.3663
H7 -0.5156 0.7058 -1.3765   0.4831 0.6944 -1.3940
H8 -0.9996 1.6138 0.0500   0.8806 1.6825 0.0059
H9 -2.5268 -0.3491 -0.3283   2.5497 -0.1768 -0.2863
H10 -1.1469 -1.4491 -0.2097   1.2507 -1.3689 -0.1460
H11 -1.6639 -0.5220 1.2051   1.6797 -0.3598 1.2419
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5161 2.5456 1.4060 1.0936 1.0947 2.1356 2.1173 3.4892 2.8097 2.8182
C2 1.5161 1.5292 2.3991 2.1715 2.1719 1.0946 1.0967 2.1732 2.1716 2.1763
C3 2.5456 1.5292 2.9696 3.4985 2.7924 2.1678 2.1676 1.0926 1.0918 1.0943
F4 1.4060 2.3991 2.9696 2.0168 2.0167 2.6499 3.3184 3.9535 2.6791 3.3716
H5 1.0936 2.1715 3.4985 2.0168 1.7856 2.4787 2.4497 4.3259 3.8173 3.8155
H6 1.0947 2.1719 2.7924 2.0167 1.7856 3.0615 2.5066 3.7988 3.1323 2.6219
H7 2.1356 1.0946 2.1678 2.6499 2.4787 3.0615 1.7589 2.5013 2.5306 3.0807
H8 2.1173 1.0967 2.1676 3.3184 2.4497 2.5066 1.7589 2.5156 3.0774 2.5174
H9 3.4892 2.1732 1.0926 3.9535 4.3259 3.7988 2.5013 2.5156 1.7686 1.7680
H10 2.8097 2.1716 1.0918 2.6791 3.8173 3.1323 2.5306 3.0774 1.7686 1.7687
H11 2.8182 2.1763 1.0943 3.3716 3.8155 2.6219 3.0807 2.5174 1.7680 1.7687
Maximum atom distance is 4.3259Å 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 113.426 C2 C1 F4 110.315
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.704 C1 C2 H8 107.167
C2 C1 H5 111.605 C2 C1 H6 111.572
C2 C3 H9 110.873 C2 C3 H10 110.797
C2 C3 H11 111.021 C3 C2 H7 110.330
C3 C2 H8 110.181 F4 C1 H5 106.913
F4 C1 H6 106.845 H5 C1 H6 109.374
H7 C2 H8 106.770 H9 C3 H10 108.125
H9 C3 H11 107.888 H10 C3 H11 108.014

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