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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

G3
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7958 0.5238 0.2931   -0.8322 0.4832 0.2597
C2 -0.5947 0.6652 -0.2811   0.5557 0.6899 -0.3006
C3 -1.5037 -0.4895 0.1203   1.5296 -0.3865 0.1616
F4 1.3686 -0.6677 -0.1698   -1.3204 -0.7606 -0.1604
H5 1.4487 1.3472 -0.0126   -1.5310 1.2497 -0.0894
H6 0.7717 0.4759 1.3871   -0.8232 0.4821 1.3550
H7 -0.5145 0.7219 -1.3715   0.4901 0.6964 -1.3935
H8 -1.0107 1.6211 0.0591   0.9044 1.6837 0.0047
H9 -2.4975 -0.3822 -0.3209   2.5218 -0.2339 -0.2699
H10 -1.0791 -1.4374 -0.2142   1.1717 -1.3727 -0.1384
H11 -1.6201 -0.5345 1.2073   1.6307 -0.3792 1.2511
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5110 2.5188 1.4007 1.0944 1.0953 2.1277 2.1265 3.4704 2.7602 2.7915
C2 1.5110 1.5234 2.3756 2.1708 2.1646 1.0949 1.0965 2.1724 2.1588 2.1694
C3 2.5188 1.5234 2.8924 3.4796 2.7775 2.1614 2.1682 1.0927 1.0912 1.0942
F4 1.4007 2.3756 2.8924 2.0226 2.0218 2.6308 3.3093 3.8796 2.5663 3.2934
H5 1.0944 2.1708 3.4796 2.0226 1.7823 2.4681 2.4756 4.3196 3.7662 3.8009
H6 1.0953 2.1646 2.7775 2.0218 1.7823 3.0536 2.5003 3.7871 3.1065 2.6027
H7 2.1277 1.0949 2.1614 2.6308 2.4681 3.0536 1.7611 2.5011 2.5142 3.0743
H8 2.1265 1.0965 2.1682 3.3093 2.4756 2.5003 1.7611 2.5236 3.0714 2.5172
H9 3.4704 2.1724 1.0927 3.8796 4.3196 3.7871 2.5011 2.5236 1.7711 1.7688
H10 2.7602 2.1588 1.0912 2.5663 3.7662 3.1065 2.5142 3.0714 1.7711 1.7688
H11 2.7915 2.1694 1.0942 3.2934 3.8009 2.6027 3.0743 2.5172 1.7688 1.7688
Maximum atom distance is 4.3196Å 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 112.888 C2 C1 F4 109.839
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.569 C1 C2 H8 108.030
C2 C1 H5 111.472 C2 C1 H6 111.433
C2 C3 H9 110.924 C2 C3 H10 110.764
C2 C3 H11 111.124 C3 C2 H7 109.976
C3 C2 H8 110.260 F4 C1 H5 107.590
F4 C1 H6 107.523 H5 C1 H6 108.828
H7 C2 H8 106.916 H9 C3 H10 108.127
H9 C3 H11 107.802 H10 C3 H11 107.970

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