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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

HSEh1PBE/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7920 0.5125 0.3004   0.7523 0.5724 0.2942
C2 -0.5940 0.6484 -0.2860   -0.6327 0.5991 -0.3096
C3 -1.5342 -0.4806 0.1180   -1.4999 -0.5792 0.1158
F4 1.4058 -0.6523 -0.1713   1.4482 -0.5607 -0.1392
H5 1.4367 1.3514 0.0169   1.3428 1.4448 -0.0058
H6 0.7615 0.4352 1.3940   0.7142 0.5225 1.3891
H7 -0.5085 0.7019 -1.3781   -0.5380 0.6291 -1.4018
H8 -0.9956 1.6158 0.0444   -1.1019 1.5459 -0.0100
H9 -2.5249 -0.3464 -0.3263   -2.4920 -0.5238 -0.3420
H10 -1.1456 -1.4487 -0.2101   -1.0436 -1.5275 -0.1817
H11 -1.6587 -0.5206 1.2061   -1.6343 -0.5984 1.2033
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5111 2.5358 1.3986 1.0954 1.0967 2.1318 2.1162 3.4831 2.8038 2.8095
C2 1.5111 1.5237 2.3884 2.1702 2.1692 1.0967 1.0983 2.1724 2.1697 2.1740
C3 2.5358 1.5237 2.9592 3.4918 2.7816 2.1653 2.1657 1.0941 1.0936 1.0959
F4 1.3986 2.3884 2.9592 2.0128 2.0120 2.6372 3.3103 3.9457 2.6732 3.3624
H5 1.0954 2.1702 3.4918 2.0128 1.7865 2.4802 2.4468 4.3237 3.8158 3.8079
H6 1.0967 2.1692 2.7816 2.0120 1.7865 3.0608 2.5106 3.7909 3.1240 2.6089
H7 2.1318 1.0967 2.1653 2.6372 2.4802 3.0608 1.7595 2.5042 2.5289 3.0815
H8 2.1162 1.0983 2.1657 3.3103 2.4468 2.5106 1.7595 2.5153 3.0787 2.5207
H9 3.4831 2.1724 1.0941 3.9457 4.3237 3.7909 2.5042 2.5153 1.7694 1.7689
H10 2.8038 2.1697 1.0936 2.6732 3.8158 3.1240 2.5289 3.0787 1.7694 1.7693
H11 2.8095 2.1740 1.0959 3.3624 3.8079 2.6089 3.0815 2.5207 1.7689 1.7693
Maximum atom distance is 4.3237Å 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 113.353 C2 C1 F4 110.277
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.620 C1 C2 H8 107.326
C2 C1 H5 111.748 C2 C1 H6 111.582
C2 C3 H9 111.110 C2 C3 H10 110.924
C2 C3 H11 111.126 C3 C2 H7 110.386
C3 C2 H8 110.322 F4 C1 H5 106.990
F4 C1 H6 106.849 H5 C1 H6 109.172
H7 C2 H8 106.561 H9 C3 H10 107.965
H9 C3 H11 107.751 H10 C3 H11 107.816

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