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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

BLYP/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7927 0.5230 0.3066   -0.8307 0.4781 0.2781
C2 -0.6018 0.6446 -0.2938   0.5607 0.6733 -0.3101
C3 -1.5619 -0.4847 0.1200   1.5893 -0.3723 0.1558
F4 1.4412 -0.6547 -0.1708   -1.3908 -0.7574 -0.1635
H5 1.4330 1.3684 0.0237   -1.5228 1.2672 -0.0430
H6 0.7620 0.4389 1.4019   -0.8098 0.4355 1.3759
H7 -0.5100 0.6870 -1.3881   0.4817 0.6703 -1.4062
H8 -1.0042 1.6192 0.0239   0.8915 1.6839 -0.0235
H9 -2.5509 -0.3423 -0.3316   2.5727 -0.1787 -0.2892
H10 -1.1822 -1.4616 -0.1996   1.2814 -1.3836 -0.1324
H11 -1.6923 -0.5137 1.2100   1.7061 -0.3533 1.2476
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5232 2.5680 1.4266 1.0976 1.0989 2.1439 2.1238 3.5123 2.8452 2.8401
C2 1.5232 1.5389 2.4243 2.1829 2.1858 1.0990 1.1012 2.1850 2.1867 2.1891
C3 2.5680 1.5389 3.0219 3.5232 2.8102 2.1802 2.1787 1.0965 1.0957 1.0982
F4 1.4266 2.4243 3.0219 2.0325 2.0323 2.6625 3.3449 4.0075 2.7448 3.4272
H5 1.0976 2.1829 3.5232 2.0325 1.7927 2.4965 2.4500 4.3502 3.8598 3.8363
H6 1.0989 2.1858 2.8102 2.0323 1.7927 3.0763 2.5320 3.8198 3.1554 2.6397
H7 2.1439 1.0990 2.1802 2.6625 2.4965 3.0763 1.7627 2.5181 2.5457 3.0967
H8 2.1238 1.1012 2.1787 3.3449 2.4500 2.5320 1.7627 2.5231 3.0940 2.5356
H9 3.5123 2.1850 1.0965 4.0075 4.3502 3.8198 2.5181 2.5231 1.7731 1.7729
H10 2.8452 2.1867 1.0957 2.7448 3.8598 3.1554 2.5457 3.0940 1.7731 1.7737
H11 2.8401 2.1891 1.0982 3.4272 3.8363 2.6397 3.0967 2.5356 1.7729 1.7737
Maximum atom distance is 4.3502Å 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 113.993 C2 C1 F4 110.496
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.609 C1 C2 H8 106.944
C2 C1 H5 111.773 C2 C1 H6 111.924
C2 C3 H9 110.894 C2 C3 H10 111.076
C2 C3 H11 111.118 C3 C2 H7 110.372
C3 C2 H8 110.119 F4 C1 H5 106.529
F4 C1 H6 106.443 H5 C1 H6 109.399
H7 C2 H8 106.479 H9 C3 H10 107.955
H9 C3 H11 107.760 H10 C3 H11 107.892

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