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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

HF/daug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8018 0.4950 0.3000   -0.8378 0.4492 0.2723
C2 -0.5852 0.6484 -0.2823   0.5437 0.6766 -0.2985
C3 -1.5395 -0.4721 0.1169   1.5662 -0.3611 0.1522
F4 1.3950 -0.6460 -0.1729   -1.3452 -0.7458 -0.1662
H5 1.4373 1.3261 0.0241   -1.5244 1.2246 -0.0410
H6 0.7726 0.4183 1.3801   -0.8191 0.4127 1.3548
H7 -0.5031 0.7016 -1.3627   0.4738 0.6861 -1.3810
H8 -0.9743 1.6061 0.0514   0.8619 1.6699 0.0050
H9 -2.5175 -0.3179 -0.3227   2.5377 -0.1558 -0.2808
H10 -1.1706 -1.4337 -0.2155   1.2684 -1.3568 -0.1496
H11 -1.6624 -0.5147 1.1940   1.6762 -0.3572 1.2316
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5120 2.5398 1.3702 1.0820 1.0832 2.1237 2.1097 3.4736 2.8064 2.8091
C2 1.5120 1.5249 2.3683 2.1549 2.1587 1.0849 1.0863 2.1608 2.1638 2.1662
C3 2.5398 1.5249 2.9539 3.4790 2.7811 2.1542 2.1547 1.0833 1.0823 1.0849
F4 1.3702 2.3683 2.9539 1.9824 1.9830 2.6143 3.2766 3.9291 2.6842 3.3516
H5 1.0820 2.1549 3.4790 1.9824 1.7620 2.4655 2.4279 4.2969 3.8046 3.7902
H6 1.0832 2.1587 2.7811 1.9830 1.7620 3.0382 2.4957 3.7771 3.1228 2.6143
H7 2.1237 1.0849 2.1542 2.6143 2.4655 3.0382 1.7435 2.4857 2.5142 3.0594
H8 2.1097 1.0863 2.1547 3.2766 2.4279 2.4957 1.7435 2.4946 3.0578 2.5054
H9 3.4736 2.1608 1.0833 3.9291 4.2969 3.7771 2.4857 2.4946 1.7523 1.7522
H10 2.8064 2.1638 1.0823 2.6842 3.8046 3.1228 2.5142 3.0578 1.7523 1.7530
H11 2.8091 2.1662 1.0849 3.3516 3.7902 2.6143 3.0594 2.5054 1.7522 1.7530
Maximum atom distance is 4.2969Å 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 113.500 C2 C1 F4 110.409
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.608 C1 C2 H8 107.441
C2 C1 H5 111.265 C2 C1 H6 111.498
C2 C3 H9 110.747 C2 C3 H10 111.048
C2 C3 H11 111.076 C3 C2 H7 110.126
C3 C2 H8 110.077 F4 C1 H5 107.297
F4 C1 H6 107.267 H5 C1 H6 108.931
H7 C2 H8 106.837 H9 C3 H10 108.036
H9 C3 H11 107.827 H10 C3 H11 107.973

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