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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

B3LYP/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7920 0.5126 0.3025   0.7529 0.5718 0.2961
C2 -0.5950 0.6453 -0.2884   -0.6328 0.5965 -0.3119
C3 -1.5445 -0.4801 0.1184   -1.5108 -0.5779 0.1162
F4 1.4177 -0.6505 -0.1710   1.4594 -0.5596 -0.1389
H5 1.4305 1.3524 0.0231   1.3379 1.4442 0.0001
H6 0.7606 0.4333 1.3917   0.7140 0.5198 1.3867
H7 -0.5073 0.6938 -1.3763   -0.5357 0.6216 -1.3999
H8 -0.9935 1.6115 0.0358   -1.0978 1.5426 -0.0184
H9 -2.5288 -0.3415 -0.3293   -2.4968 -0.5168 -0.3449
H10 -1.1627 -1.4487 -0.2029   -1.0623 -1.5274 -0.1745
H11 -1.6730 -0.5134 1.2022   -1.6496 -0.5906 1.1992
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5135 2.5453 1.4030 1.0913 1.0925 2.1306 2.1135 3.4866 2.8148 2.8176
C2 1.5135 1.5275 2.3966 2.1679 2.1692 1.0926 1.0943 2.1714 2.1712 2.1740
C3 2.5453 1.5275 2.9811 3.4953 2.7873 2.1652 2.1646 1.0902 1.0895 1.0919
F4 1.4030 2.3966 2.9811 2.0123 2.0120 2.6392 3.3126 3.9617 2.7012 3.3848
H5 1.0913 2.1679 3.4953 2.0123 1.7795 2.4793 2.4378 4.3208 3.8238 3.8083
H6 1.0925 2.1692 2.7873 2.0120 1.7795 3.0557 2.5107 3.7924 3.1278 2.6181
H7 2.1306 1.0926 2.1652 2.6392 2.4793 3.0557 1.7529 2.5010 2.5292 3.0765
H8 2.1135 1.0943 2.1646 3.3126 2.4378 2.5107 1.7529 2.5109 3.0742 2.5174
H9 3.4866 2.1714 1.0902 3.9617 4.3208 3.7924 2.5010 2.5109 1.7630 1.7627
H10 2.8148 2.1712 1.0895 2.7012 3.8238 3.1278 2.5292 3.0742 1.7630 1.7633
H11 2.8176 2.1740 1.0919 3.3848 3.8083 2.6181 3.0765 2.5174 1.7627 1.7633
Maximum atom distance is 4.3208Å 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 113.645 C2 C1 F4 110.462
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.604 C1 C2 H8 107.183
C2 C1 H5 111.639 C2 C1 H6 111.665
C2 C3 H9 110.988 C2 C3 H10 111.019
C2 C3 H11 111.097 C3 C2 H7 110.353
C3 C2 H8 110.202 F4 C1 H5 106.900
F4 C1 H6 106.802 H5 C1 H6 109.145
H7 C2 H8 106.562 H9 C3 H10 107.960
H9 C3 H11 107.764 H10 C3 H11 107.867

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