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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

B3PW91/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8000 0.5129 0.2922   -0.8372 0.4666 0.2639
C2 -0.5950 0.6574 -0.2780   0.5526 0.6865 -0.2946
C3 -1.5263 -0.4828 0.1174   1.5539 -0.3723 0.1528
F4 1.3905 -0.6609 -0.1694   -1.3395 -0.7605 -0.1618
H5 1.4463 1.3554 -0.0081   -1.5352 1.2516 -0.0742
H6 0.7786 0.4632 1.3958   -0.8283 0.4576 1.3688
H7 -0.5174 0.7209 -1.3772   0.4865 0.7057 -1.3962
H8 -0.9999 1.6272 0.0623   0.8854 1.6933 0.0151
H9 -2.5167 -0.3727 -0.3497   2.5410 -0.2108 -0.3063
H10 -1.1057 -1.4496 -0.1973   1.2048 -1.3762 -0.1316
H11 -1.6722 -0.5214 1.2098   1.6864 -0.3621 1.2475
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5139 2.5364 1.3927 1.1035 1.1050 2.1367 2.1293 3.4923 2.7789 2.8325
C2 1.5139 1.5244 2.3857 2.1741 2.1739 1.1038 1.1047 2.1815 2.1695 2.1825
C3 2.5364 1.5244 2.9363 3.4973 2.8003 2.1681 2.1754 1.1006 1.1002 1.1028
F4 1.3927 2.3857 2.9363 2.0235 2.0219 2.6472 3.3171 3.9219 2.6180 3.3618
H5 1.1035 2.1741 3.4973 2.0235 1.7924 2.4765 2.4622 4.3368 3.7969 3.8380
H6 1.1050 2.1739 2.8003 2.0219 1.7924 3.0717 2.5092 3.8216 3.1221 2.6477
H7 2.1367 1.1038 2.1681 2.6472 2.4765 3.0717 1.7682 2.4998 2.5395 3.0934
H8 2.1293 1.1047 2.1754 3.3171 2.4622 2.5092 1.7682 2.5436 3.0896 2.5269
H9 3.4923 2.1815 1.1006 3.9219 4.3368 3.8216 2.4998 2.5436 1.7815 1.7797
H10 2.7789 2.1695 1.1002 2.6180 3.7969 3.1221 2.5395 3.0896 1.7815 1.7783
H11 2.8325 2.1825 1.1028 3.3618 3.8380 2.6477 3.0934 2.5269 1.7797 1.7783
Maximum atom distance is 4.3368Å 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 113.194 C2 C1 F4 110.262
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.408 C1 C2 H8 107.790
C2 C1 H5 111.364 C2 C1 H6 111.262
C2 C3 H9 111.395 C2 C3 H10 110.456
C2 C3 H11 111.340 C3 C2 H7 110.139
C3 C2 H8 110.662 F4 C1 H5 107.758
F4 C1 H6 107.542 H5 C1 H6 108.505
H7 C2 H8 106.381 H9 C3 H10 108.092
H9 C3 H11 107.754 H10 C3 H11 107.650

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