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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=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7998 0.5186 0.2943   0.7577 0.5810 0.2889
C2 -0.5929 0.6649 -0.2808   -0.6348 0.6141 -0.3039
C3 -1.5108 -0.4866 0.1200   -1.4742 -0.5889 0.1172
F4 1.3708 -0.6660 -0.1709   1.4162 -0.5716 -0.1397
H5 1.4525 1.3441 -0.0076   1.3543 1.4427 -0.0277
H6 0.7758 0.4666 1.3886   0.7244 0.5549 1.3839
H7 -0.5118 0.7208 -1.3720   -0.5448 0.6481 -1.3953
H8 -1.0051 1.6232 0.0585   -1.1175 1.5492 0.0062
H9 -2.5032 -0.3728 -0.3247   -2.4667 -0.5567 -0.3402
H10 -1.0916 -1.4386 -0.2129   -0.9850 -1.5170 -0.1865
H11 -1.6306 -0.5306 1.2076   -1.6036 -0.6140 1.2044
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5138 2.5258 1.3950 1.0948 1.0958 2.1301 2.1292 3.4767 2.7686 2.8003
C2 1.5138 1.5262 2.3748 2.1724 2.1678 1.0956 1.0970 2.1744 2.1629 2.1729
C3 2.5258 1.5262 2.9018 3.4855 2.7832 2.1637 2.1705 1.0934 1.0922 1.0951
F4 1.3950 2.3748 2.9018 2.0184 2.0172 2.6286 3.3073 3.8881 2.5811 3.3057
H5 1.0948 2.1724 3.4855 2.0184 1.7826 2.4715 2.4743 4.3239 3.7759 3.8075
H6 1.0958 2.1678 2.7832 2.0172 1.7826 3.0567 2.5058 3.7936 3.1115 2.6111
H7 2.1301 1.0956 2.1637 2.6286 2.4715 3.0567 1.7618 2.5017 2.5184 3.0777
H8 2.1292 1.0970 2.1705 3.3073 2.4743 2.5058 1.7618 2.5249 3.0751 2.5201
H9 3.4767 2.1744 1.0934 3.8881 4.3239 3.7936 2.5017 2.5249 1.7723 1.7703
H10 2.7686 2.1629 1.0922 2.5811 3.7759 3.1115 2.5184 3.0751 1.7723 1.7700
H11 2.8003 2.1729 1.0951 3.3057 3.8075 2.6111 3.0777 2.5201 1.7703 1.7700
Maximum atom distance is 4.3239Å 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 112.373 C2 C1 F4 109.387
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.373 C1 C2 H8 108.219
C2 C1 H5 111.768 C2 C1 H6 111.337
C2 C3 H9 111.138 C2 C3 H10 110.288
C2 C3 H11 110.915 C3 C2 H7 110.154
C3 C2 H8 110.600 F4 C1 H5 107.713
F4 C1 H6 107.559 H5 C1 H6 108.922
H7 C2 H8 106.936 H9 C3 H10 108.371
H9 C3 H11 107.985 H10 C3 H11 108.036

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