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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

B2PLYP/daug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.7903 0.5142 0.3020   0.7505 0.5739 0.2958
C2 -0.5944 0.6496 -0.2881   -0.6331 0.6003 -0.3116
C3 -1.5324 -0.4824 0.1187   -1.4980 -0.5810 0.1165
F4 1.4053 -0.6522 -0.1716   1.4477 -0.5606 -0.1397
H5 1.4320 1.3486 0.0214   1.3383 1.4419 -0.0010
H6 0.7568 0.4351 1.3895   0.7096 0.5216 1.3846
H7 -0.5068 0.6997 -1.3745   -0.5362 0.6274 -1.3980
H8 -0.9956 1.6114 0.0409   -1.1016 1.5414 -0.0130
H9 -2.5184 -0.3509 -0.3241   -2.4852 -0.5277 -0.3396
H10 -1.1419 -1.4447 -0.2063   -1.0402 -1.5232 -0.1783
H11 -1.6542 -0.5176 1.2018   -1.6299 -0.5955 1.1989
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9 H10 H11
C1 1.5112 2.5341 1.4011 1.0895 1.0908 2.1278 2.1122 3.4767 2.7981 2.8017
C2 1.5112 1.5254 2.3889 2.1659 2.1647 1.0911 1.0929 2.1688 2.1663 2.1692
C3 2.5341 1.5254 2.9568 3.4857 2.7744 2.1631 2.1629 1.0888 1.0882 1.0905
F4 1.4011 2.3889 2.9568 2.0103 2.0099 2.6326 3.3065 3.9381 2.6679 3.3563
H5 1.0895 2.1659 3.4857 2.0103 1.7782 2.4756 2.4419 4.3143 3.8053 3.7948
H6 1.0908 2.1647 2.7744 2.0099 1.7782 3.0506 2.5047 3.7790 3.1122 2.5992
H7 2.1278 1.0911 2.1631 2.6326 2.4756 3.0506 1.7532 2.5007 2.5232 3.0717
H8 2.1122 1.0929 2.1629 3.3065 2.4419 2.5047 1.7532 2.5104 3.0696 2.5127
H9 3.4767 2.1688 1.0888 3.9381 4.3143 3.7790 2.5007 2.5104 1.7621 1.7616
H10 2.7981 2.1663 1.0882 2.6679 3.8053 3.1122 2.5232 3.0696 1.7621 1.7621
H11 2.8017 2.1692 1.0905 3.3563 3.7948 2.5992 3.0717 2.5127 1.7616 1.7621
Maximum atom distance is 4.3143Å 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 113.128 C2 C1 F4 110.167
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.626 C1 C2 H8 107.318
C2 C1 H5 111.748 C2 C1 H6 111.576
C2 C3 H9 111.022 C2 C3 H10 110.853
C2 C3 H11 110.942 C3 C2 H7 110.424
C3 C2 H8 110.308 F4 C1 H5 106.975
F4 C1 H6 106.864 H5 C1 H6 109.291
H7 C2 H8 106.789 H9 C3 H10 108.081
H9 C3 H11 107.861 H10 C3 H11 107.951

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