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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/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8004 0.5187 0.2955   0.7594 0.5800 0.2897
C2 -0.5957 0.6591 -0.2810   -0.6362 0.6091 -0.3042
C3 -1.5305 -0.4851 0.1185   -1.4949 -0.5861 0.1161
F4 1.3946 -0.6629 -0.1697   1.4387 -0.5695 -0.1382
H5 1.4452 1.3488 -0.0072   1.3493 1.4445 -0.0285
H6 0.7781 0.4608 1.3890   0.7283 0.5489 1.3840
H7 -0.5162 0.7165 -1.3717   -0.5480 0.6437 -1.3952
H8 -1.0018 1.6206 0.0559   -1.1111 1.5486 0.0031
H9 -2.5141 -0.3711 -0.3433   -2.4785 -0.5520 -0.3584
H10 -1.1162 -1.4446 -0.1972   -1.0121 -1.5226 -0.1700
H11 -1.6710 -0.5209 1.2034   -1.6454 -0.6036 1.2001
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5169 2.5440 1.4021 1.0939 1.0952 2.1336 2.1258 3.4908 2.7875 2.8306
C2 1.5169 1.5306 2.3919 2.1716 2.1715 1.0951 1.0967 2.1784 2.1687 2.1799
C3 2.5440 1.5306 2.9446 3.4977 2.7998 2.1664 2.1719 1.0926 1.0917 1.0945
F4 1.4021 2.3919 2.9446 2.0189 2.0180 2.6455 3.3178 3.9234 2.6298 3.3621
H5 1.0939 2.1716 3.4977 2.0189 1.7840 2.4716 2.4628 4.3298 3.7947 3.8304
H6 1.0952 2.1715 2.7998 2.0180 1.7840 3.0597 2.5080 3.8120 3.1200 2.6451
H7 2.1336 1.0951 2.1664 2.6455 2.4716 3.0597 1.7582 2.4964 2.5317 3.0815
H8 2.1258 1.0967 2.1719 3.3178 2.4628 2.5080 1.7582 2.5324 3.0777 2.5200
H9 3.4908 2.1784 1.0926 3.9234 4.3298 3.8120 2.4964 2.5324 1.7686 1.7679
H10 2.7875 2.1687 1.0917 2.6298 3.7947 3.1200 2.5317 3.0777 1.7686 1.7671
H11 2.8306 2.1799 1.0945 3.3621 3.8304 2.6451 3.0815 2.5200 1.7679 1.7671
Maximum atom distance is 4.3298Å 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 113.187 C2 C1 F4 109.995
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.456 C1 C2 H8 107.766
C2 C1 H5 111.539 C2 C1 H6 111.446
C2 C3 H9 111.193 C2 C3 H10 110.469
C2 C3 H11 111.194 C3 C2 H7 110.088
C3 C2 H8 110.430 F4 C1 H5 107.328
F4 C1 H6 107.180 H5 C1 H6 109.172
H7 C2 H8 106.671 H9 C3 H10 108.129
H9 C3 H11 107.868 H10 C3 H11 107.855

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