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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

LSDA/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1044 -0.7736 0.0000   0.6006 -0.4985 0.0000
C2 0.0000 0.7239 0.0000   -0.4902 0.5326 0.0000
C3 -1.4478 1.1754 0.0000   -1.8613 -0.1155 0.0000
F4 1.4725 -1.1620 0.0000   1.8704 0.1421 0.0000
H5 -0.3789 -1.2053 0.8986   0.5374 -1.1435 0.8986
H6 -0.3789 -1.2053 -0.8986   0.5374 -1.1435 -0.8986
H7 0.5321 1.1169 -0.8867   -0.3648 1.1821 -0.8867
H8 0.5321 1.1169 0.8867   -0.3648 1.1821 0.8867
H9 -1.5269 2.2750 0.0000   -2.6640 0.6400 0.0000
H10 -1.9856 0.8029 -0.8915   -2.0047 -0.7538 -0.8915
H11 -1.9856 0.8029 0.8915   -2.0047 -0.7538 0.8915
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5011 2.4915 1.4222 1.1079 1.1079 2.1314 2.1314 3.4575 2.7655 2.7655
C2 1.5011 1.5166 2.3926 2.1616 2.1616 1.1063 1.1063 2.1765 2.1780 2.1780
C3 2.4915 1.5166 3.7405 2.7600 2.7600 2.1702 2.1702 1.1024 1.1058 1.1058
F4 1.4222 2.3926 3.7405 2.0584 2.0584 2.6199 2.6199 4.5617 4.0760 4.0760
H5 1.1079 2.1616 2.7600 2.0584 1.7971 3.0675 2.4945 3.7733 3.1334 2.5718
H6 1.1079 2.1616 2.7600 2.0584 1.7971 2.4945 3.0675 3.7733 2.5718 3.1334
H7 2.1314 1.1063 2.1702 2.6199 3.0675 2.4945 1.7735 2.5232 2.5372 3.0983
H8 2.1314 1.1063 2.1702 2.6199 2.4945 3.0675 1.7735 2.5232 3.0983 2.5372
H9 3.4575 2.1765 1.1024 4.5617 3.7733 3.7733 2.5232 2.5232 1.7811 1.7811
H10 2.7655 2.1780 1.1058 4.0760 3.1334 2.5718 2.5372 3.0983 1.7811 1.7829
H11 2.7655 2.1780 1.1058 4.0760 2.5718 3.1334 3.0983 2.5372 1.7811 1.7829
Maximum atom distance is 4.5617Å 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 111.308 C2 C1 F4 109.837
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.721 C1 C2 H8 108.721
C2 C1 H5 111.004 C2 C1 H6 111.004
C2 C3 H9 111.435 C2 C3 H10 111.347
C2 C3 H11 111.347 C3 C2 H7 110.694
C3 C2 H8 110.694 F4 C1 H5 108.251
F4 C1 H6 108.251 H5 C1 H6 108.404
H7 C2 H8 106.556 H9 C3 H10 107.526
H9 C3 H11 107.526 H10 C3 H11 107.451

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