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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

MP3/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7931 0.5198 0.3007   -0.8331 0.4699 0.2734
C2 -0.5957 0.6542 -0.2874   0.5505 0.6862 -0.3025
C3 -1.5276 -0.4854 0.1199   1.5570 -0.3678 0.1545
F4 1.3973 -0.6577 -0.1712   -1.3431 -0.7637 -0.1653
H5 1.4406 1.3457 0.0099   -1.5348 1.2360 -0.0532
H6 0.7653 0.4444 1.3881   -0.8155 0.4329 1.3630
H7 -0.5081 0.7037 -1.3738   0.4751 0.6931 -1.3909
H8 -1.0014 1.6130 0.0454   0.8804 1.6827 0.0021
H9 -2.5160 -0.3516 -0.3171   2.5393 -0.1765 -0.2750
H10 -1.1341 -1.4433 -0.2141   1.2392 -1.3625 -0.1512
H11 -1.6411 -0.5243 1.2039   1.6575 -0.3622 1.2405
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5142 2.5355 1.4051 1.0890 1.0904 2.1286 2.1167 3.4772 2.7987 2.7984
C2 1.5142 1.5274 2.3889 2.1709 2.1688 1.0910 1.0930 2.1680 2.1667 2.1693
C3 2.5355 1.5274 2.9444 3.4893 2.7803 2.1643 2.1646 1.0890 1.0881 1.0907
F4 1.4051 2.3889 2.9444 2.0121 2.0114 2.6325 3.3101 3.9280 2.6508 3.3378
H5 1.0890 2.1709 3.4893 2.0121 1.7799 2.4747 2.4568 4.3177 3.8023 3.7973
H6 1.0904 2.1688 2.7803 2.0114 1.7799 3.0524 2.5080 3.7826 3.1205 2.6005
H7 2.1286 1.0910 2.1643 2.6325 2.4747 3.0524 1.7562 2.5024 2.5192 3.0718
H8 2.1167 1.0930 2.1646 3.3101 2.4568 2.5080 1.7562 2.5070 3.0701 2.5138
H9 3.4772 2.1680 1.0890 3.9280 4.3177 3.7826 2.5024 2.5070 1.7642 1.7631
H10 2.7987 2.1667 1.0881 2.6508 3.8023 3.1205 2.5192 3.0701 1.7642 1.7642
H11 2.7984 2.1693 1.0907 3.3378 3.7973 2.6005 3.0718 2.5138 1.7631 1.7642
Maximum atom distance is 4.3177Å 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 112.940 C2 C1 F4 109.776
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.493 C1 C2 H8 107.462
C2 C1 H5 111.977 C2 C1 H6 111.724
C2 C3 H9 110.803 C2 C3 H10 110.749
C2 C3 H11 110.803 C3 C2 H7 110.387
C3 C2 H8 110.290 F4 C1 H5 106.869
F4 C1 H6 106.737 H5 C1 H6 109.509
H7 C2 H8 107.050 H9 C3 H10 108.256
H9 C3 H11 107.981 H10 C3 H11 108.140

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