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Geometry for CH2FCH2CH3 (1-Fluoropropane) 1A' CS trans

1910171554
InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3 INChIKey=JRHNUZCXXOTJCA-UHFFFAOYSA-N

LSDA/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1297 -0.7611 0.0000   -0.6079 0.4760 0.0000
C2 0.0000 0.7268 0.0000   0.4888 -0.5379 0.0000
C3 -1.4487 1.1397 0.0000   1.8386 0.1309 0.0000
F4 1.4539 -1.1369 0.0000   -1.8406 -0.1364 0.0000
H5 -0.3526 -1.1968 0.8944   -0.5440 1.1228 0.8944
H6 -0.3526 -1.1968 -0.8944   -0.5440 1.1228 -0.8944
H7 0.5214 1.1273 -0.8840   0.3724 -1.1849 -0.8840
H8 0.5214 1.1273 0.8840   0.3724 -1.1849 0.8840
H9 -1.5596 2.2317 0.0000   2.6551 -0.6027 0.0000
H10 -1.9743 0.7535 -0.8866   1.9679 0.7702 -0.8866
H11 -1.9743 0.7535 0.8866   1.9679 0.7702 0.8866
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.4936 2.4707 1.3765 1.1056 1.1056 2.1216 2.1216 3.4366 2.7399 2.7399
C2 1.4936 1.5064 2.3637 2.1505 2.1505 1.1017 1.1017 2.1672 2.1644 2.1644
C3 2.4707 1.5064 3.6889 2.7314 2.7314 2.1594 2.1594 1.0976 1.1007 1.1007
F4 1.3765 2.3637 3.6889 2.0166 2.0166 2.6034 2.6034 4.5198 4.0140 4.0140
H5 1.1056 2.1505 2.7314 2.0166 1.7888 3.0542 2.4831 3.7432 3.0993 2.5365
H6 1.1056 2.1505 2.7314 2.0166 1.7888 2.4831 3.0542 3.7432 2.5365 3.0993
H7 2.1216 1.1017 2.1594 2.6034 3.0542 2.4831 1.7681 2.5162 2.5236 3.0828
H8 2.1216 1.1017 2.1594 2.6034 2.4831 3.0542 1.7681 2.5162 3.0828 2.5236
H9 3.4366 2.1672 1.0976 4.5198 3.7432 3.7432 2.5162 2.5162 1.7729 1.7729
H10 2.7399 2.1644 1.1007 4.0140 3.0993 2.5365 2.5236 3.0828 1.7729 1.7732
H11 2.7399 2.1644 1.1007 4.0140 2.5365 3.0993 3.0828 2.5236 1.7729 1.7732
Maximum atom distance is 4.5198Å between atoms F4 and H9.
picture of 1-Fluoropropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 110.887 C2 C1 F4 110.824
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.729 C1 C2 H8 108.729
C2 C1 H5 110.778 C2 C1 H6 110.778
C2 C3 H9 111.702 C2 C3 H10 111.291
C2 C3 H11 111.291 C3 C2 H7 110.823
C3 C2 H8 110.823 F4 C1 H5 108.181
F4 C1 H6 108.181 H5 C1 H6 107.990
H7 C2 H8 106.724 H9 C3 H10 107.508
H9 C3 H11 107.508 H10 C3 H11 107.321

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