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Geometry for C3H8 (Propane) 1A1 C2V

1910171554
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 INChIKey=ATUOYWHBWRKTHZ-UHFFFAOYSA-N

HF/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.6002   0.0000 0.6002 0.0000
C2 0.0000 1.2748 -0.2654   1.2748 -0.2654 0.0000
C3 0.0000 -1.2748 -0.2654   -1.2748 -0.2654 0.0000
H4 0.8734 0.0000 1.2439   0.0000 1.2439 0.8734
H5 -0.8734 0.0000 1.2439   0.0000 1.2439 -0.8734
H6 0.0000 2.1672 0.3509   2.1672 0.3509 0.0000
H7 0.0000 -2.1672 0.3509   -2.1672 0.3509 0.0000
H8 0.8784 1.3020 -0.9016   1.3020 -0.9016 0.8784
H9 -0.8784 1.3020 -0.9016   1.3020 -0.9016 -0.8784
H10 -0.8784 -1.3020 -0.9016   -1.3020 -0.9016 -0.8784
H11 0.8784 -1.3020 -0.9016   -1.3020 -0.9016 0.8784
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5409 1.5409 1.0850 1.0850 2.1815 2.1815 2.1731 2.1731 2.1731 2.1731
C2 1.5409 2.5496 2.1601 2.1601 1.0845 3.4967 1.0850 1.0850 2.7958 2.7958
C3 1.5409 2.5496 2.1601 2.1601 3.4967 1.0845 2.7958 2.7958 1.0850 1.0850
H4 1.0850 2.1601 2.1601 1.7469 2.5014 2.5014 2.5096 3.0606 3.0606 2.5096
H5 1.0850 2.1601 2.1601 1.7469 2.5014 2.5014 3.0606 2.5096 2.5096 3.0606
H6 2.1815 1.0845 3.4967 2.5014 2.5014 4.3344 1.7575 1.7575 3.7915 3.7915
H7 2.1815 3.4967 1.0845 2.5014 2.5014 4.3344 3.7915 3.7915 1.7575 1.7575
H8 2.1731 1.0850 2.7958 2.5096 3.0606 1.7575 3.7915 1.7569 3.1413 2.6040
H9 2.1731 1.0850 2.7958 3.0606 2.5096 1.7575 3.7915 1.7569 2.6040 3.1413
H10 2.1731 2.7958 1.0850 3.0606 2.5096 3.7915 1.7575 3.1413 2.6040 1.7569
H11 2.1731 2.7958 1.0850 2.5096 3.0606 3.7915 1.7575 2.6040 3.1413 1.7569
Maximum atom distance is 4.3344Å between atoms H6 and H7.
picture of Propane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 111.647
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.196 C1 C2 H8 110.496
C1 C2 H9 110.496 C1 C3 H7 111.196
C1 C3 H10 110.496 C1 C3 H11 110.496
C2 C1 H4 109.467 C2 C1 H5 109.467
C3 C1 H4 109.467 C3 C1 H5 109.467
H4 C1 H5 107.223 H6 C2 H8 108.214
H6 C2 H9 108.214 H7 C3 H10 108.214
H7 C3 H11 108.214 H8 C2 H9 108.124
H10 C3 H11 108.124

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