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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

HF/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8077 0.5038 0.2937   0.7678 0.5655 0.2884
C2 -0.5866 0.6624 -0.2766   -0.6271 0.6132 -0.3001
C3 -1.5231 -0.4784 0.1175   -1.4881 -0.5786 0.1147
F4 1.3724 -0.6591 -0.1718   1.4162 -0.5675 -0.1402
H5 1.4525 1.3219 -0.0021   1.3587 1.4180 -0.0225
H6 0.7888 0.4470 1.3758   0.7399 0.5355 1.3713
H7 -0.5129 0.7251 -1.3585   -0.5450 0.6528 -1.3824
H8 -0.9853 1.6135 0.0689   -1.0941 1.5433 0.0160
H9 -2.5082 -0.3379 -0.3149   -2.4753 -0.5174 -0.3313
H10 -1.1360 -1.4297 -0.2275   -1.0328 -1.5097 -0.2009
H11 -1.6389 -0.5350 1.1964   -1.6127 -0.6151 1.1934
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5148 2.5354 1.3740 1.0829 1.0837 2.1267 2.1206 3.4748 2.7907 2.8071
C2 1.5148 1.5277 2.3654 2.1606 2.1607 1.0862 1.0876 2.1668 2.1637 2.1705
C3 2.5354 1.5277 2.9155 3.4799 2.7901 2.1558 2.1604 1.0849 1.0835 1.0865
F4 1.3740 2.3654 2.9155 1.9899 1.9897 2.6227 3.2835 3.8965 2.6247 3.3099
H5 1.0829 2.1606 3.4799 1.9899 1.7620 2.4614 2.4562 4.3058 3.7845 3.8002
H6 1.0837 2.1607 2.7901 1.9897 1.7620 3.0410 2.4932 3.7874 3.1301 2.6249
H7 2.1267 1.0862 2.1558 2.6227 2.4614 3.0410 1.7464 2.4900 2.5121 3.0631
H8 2.1206 1.0876 2.1604 3.2835 2.4562 2.4932 1.7464 2.5049 3.0613 2.5128
H9 3.4748 2.1668 1.0849 3.8965 4.3058 3.7874 2.4900 2.5049 1.7557 1.7545
H10 2.7907 2.1637 1.0835 2.6247 3.7845 3.1301 2.5121 3.0613 1.7557 1.7552
H11 2.8071 2.1705 1.0865 3.3099 3.8002 2.6249 3.0631 2.5128 1.7545 1.7552
Maximum atom distance is 4.3058Å 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 112.887 C2 C1 F4 109.839
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.582 C1 C2 H8 108.024
C2 C1 H5 111.473 C2 C1 H6 111.434
C2 C3 H9 110.924 C2 C3 H10 110.762
C2 C3 H11 111.126 C3 C2 H7 109.976
C3 C2 H8 110.258 F4 C1 H5 107.584
F4 C1 H6 107.524 H5 C1 H6 108.831
H7 C2 H8 106.911 H9 C3 H10 108.128
H9 C3 H11 107.802 H10 C3 H11 107.967

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