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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

PBEPBE/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7996 0.5205 0.2945   -0.8380 0.4731 0.2664
C2 -0.5988 0.6594 -0.2801   0.5555 0.6896 -0.2963
C3 -1.5311 -0.4867 0.1179   1.5594 -0.3740 0.1532
F4 1.3996 -0.6641 -0.1695   -1.3476 -0.7659 -0.1623
H5 1.4479 1.3598 -0.0104   -1.5385 1.2541 -0.0758
H6 0.7778 0.4658 1.3979   -0.8281 0.4584 1.3712
H7 -0.5205 0.7216 -1.3794   0.4888 0.7081 -1.3979
H8 -1.0085 1.6286 0.0586   0.8920 1.6962 0.0126
H9 -2.5247 -0.3752 -0.3416   2.5493 -0.2093 -0.2982
H10 -1.1162 -1.4528 -0.2039   1.2172 -1.3774 -0.1389
H11 -1.6702 -0.5301 1.2107   1.6855 -0.3698 1.2484
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5183 2.5452 1.4066 1.1035 1.1050 2.1413 2.1338 3.5011 2.7951 2.8360
C2 1.5183 1.5301 2.3996 2.1800 2.1790 1.1038 1.1053 2.1871 2.1760 2.1876
C3 2.5452 1.5301 2.9502 3.5072 2.8065 2.1733 2.1796 1.1004 1.0996 1.1025
F4 1.4066 2.3996 2.9502 2.0308 2.0298 2.6592 3.3328 3.9387 2.6368 3.3685
H5 1.1035 2.1800 3.5072 2.0308 1.7977 2.4812 2.4720 4.3476 3.8109 3.8452
H6 1.1050 2.1790 2.8065 2.0298 1.7977 3.0765 2.5173 3.8262 3.1359 2.6494
H7 2.1413 1.1038 2.1733 2.6592 2.4812 3.0765 1.7688 2.5093 2.5426 3.0979
H8 2.1338 1.1053 2.1796 3.3328 2.4720 2.5173 1.7688 2.5444 3.0944 2.5348
H9 3.5011 2.1871 1.1004 3.9387 4.3476 3.8262 2.5093 2.5444 1.7788 1.7788
H10 2.7951 2.1760 1.0996 2.6368 3.8109 3.1359 2.5426 3.0944 1.7788 1.7774
H11 2.8360 2.1876 1.1025 3.3685 3.8452 2.6494 3.0979 2.5348 1.7788 1.7774
Maximum atom distance is 4.3476Å 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 113.217 C2 C1 F4 110.191
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.466 C1 C2 H8 107.799
C2 C1 H5 111.524 C2 C1 H6 111.363
C2 C3 H9 111.450 C2 C3 H10 110.614
C2 C3 H11 111.360 C3 C2 H7 110.148
C3 C2 H8 110.560 F4 C1 H5 107.387
F4 C1 H6 107.228 H5 C1 H6 108.974
H7 C2 H8 106.383 H9 C3 H10 107.909
H9 C3 H11 107.702 H10 C3 H11 107.639

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