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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

CCD/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8040 0.5099 0.2969   0.7635 0.5716 0.2915
C2 -0.5920 0.6640 -0.2818   -0.6328 0.6142 -0.3051
C3 -1.5230 -0.4841 0.1186   -1.4874 -0.5849 0.1159
F4 1.3799 -0.6607 -0.1725   1.4240 -0.5681 -0.1412
H5 1.4525 1.3422 0.0030   1.3567 1.4389 -0.0175
H6 0.7716 0.4479 1.3911   0.7224 0.5354 1.3866
H7 -0.5109 0.7211 -1.3740   -0.5429 0.6488 -1.3975
H8 -0.9971 1.6240 0.0644   -1.1070 1.5524 0.0117
H9 -2.5158 -0.3589 -0.3254   -2.4811 -0.5398 -0.3413
H10 -1.1135 -1.4414 -0.2167   -1.0092 -1.5198 -0.1901
H11 -1.6402 -0.5273 1.2081   -1.6143 -0.6083 1.2048
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5190 2.5367 1.3865 1.0953 1.0965 2.1367 2.1305 3.4876 2.7836 2.8072
C2 1.5190 1.5315 2.3781 2.1727 2.1690 1.0967 1.0979 2.1793 2.1700 2.1767
C3 2.5367 1.5315 2.9228 3.4932 2.7844 2.1690 2.1734 1.0947 1.0938 1.0966
F4 1.3865 2.3781 2.9228 2.0120 2.0110 2.6321 3.3055 3.9104 2.6132 3.3234
H5 1.0953 2.1727 3.4932 2.0120 1.7862 2.4773 2.4665 4.3300 3.7922 3.8095
H6 1.0965 2.1690 2.7844 2.0110 1.7862 3.0602 2.5043 3.7952 3.1158 2.6079
H7 2.1367 1.0967 2.1690 2.6321 2.4773 3.0602 1.7665 2.5071 2.5256 3.0823
H8 2.1305 1.0979 2.1734 3.3055 2.4665 2.5043 1.7665 2.5278 3.0804 2.5199
H9 3.4876 2.1793 1.0947 3.9104 4.3300 3.7952 2.5071 2.5278 1.7748 1.7738
H10 2.7836 2.1700 1.0938 2.6132 3.7922 3.1158 2.5256 3.0804 1.7748 1.7728
H11 2.8072 2.1767 1.0966 3.3234 3.8095 2.6079 3.0823 2.5199 1.7738 1.7728
Maximum atom distance is 4.3300Å 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 112.523 C2 C1 F4 109.778
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.467 C1 C2 H8 107.921
C2 C1 H5 111.396 C2 C1 H6 111.020
C2 C3 H9 111.071 C2 C3 H10 110.385
C2 C3 H11 110.750 C3 C2 H7 110.140
C3 C2 H8 110.406 F4 C1 H5 107.751
F4 C1 H6 107.600 H5 C1 H6 109.165
H7 C2 H8 107.205 H9 C3 H10 108.377
H9 C3 H11 108.091 H10 C3 H11 108.065

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