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Geometry for C3H8 (Propane) 1A1 C2V

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

CCD/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5898   0.5898 0.0000 0.0000
C2 0.0000 1.2671 -0.2604   -0.2604 0.0000 1.2671
C3 0.0000 -1.2671 -0.2604   -0.2604 0.0000 -1.2671
H4 0.8740 0.0000 1.2443   1.2443 0.8740 0.0000
H5 -0.8740 0.0000 1.2443   1.2443 -0.8740 0.0000
H6 0.0000 2.1652 0.3570   0.3570 0.0000 2.1652
H7 0.0000 -2.1652 0.3570   0.3570 0.0000 -2.1652
H8 0.8805 1.3030 -0.9040   -0.9040 0.8805 1.3030
H9 -0.8805 1.3030 -0.9040   -0.9040 -0.8805 1.3030
H10 -0.8805 -1.3030 -0.9040   -0.9040 -0.8805 -1.3030
H11 0.8805 -1.3030 -0.9040   -0.9040 0.8805 -1.3030
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5259 1.5259 1.0919 1.0919 2.1777 2.1777 2.1690 2.1690 2.1690 2.1690
C2 1.5259 2.5341 2.1525 2.1525 1.0899 3.4874 1.0912 1.0912 2.7919 2.7919
C3 1.5259 2.5341 2.1525 2.1525 3.4874 1.0899 2.7919 2.7919 1.0912 1.0912
H4 1.0919 2.1525 2.1525 1.7480 2.4979 2.4979 2.5125 3.0645 3.0645 2.5125
H5 1.0919 2.1525 2.1525 1.7480 2.4979 2.4979 3.0645 2.5125 2.5125 3.0645
H6 2.1777 1.0899 3.4874 2.4979 2.4979 4.3305 1.7631 1.7631 3.7940 3.7940
H7 2.1777 3.4874 1.0899 2.4979 2.4979 4.3305 3.7940 3.7940 1.7631 1.7631
H8 2.1690 1.0912 2.7919 2.5125 3.0645 1.7631 3.7940 1.7610 3.1452 2.6060
H9 2.1690 1.0912 2.7919 3.0645 2.5125 1.7631 3.7940 1.7610 2.6060 3.1452
H10 2.1690 2.7919 1.0912 3.0645 2.5125 3.7940 1.7631 3.1452 2.6060 1.7610
H11 2.1690 2.7919 1.0912 2.5125 3.0645 3.7940 1.7631 2.6060 3.1452 1.7610
Maximum atom distance is 4.3305Å 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 112.275
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.633 C1 C2 H8 110.854
C1 C2 H9 110.854 C1 C3 H7 111.633
C1 C3 H10 110.854 C1 C3 H11 110.854
C2 C1 H4 109.511 C2 C1 H5 109.511
C3 C1 H4 109.511 C3 C1 H5 109.511
H4 C1 H5 106.348 H6 C2 H8 107.874
H6 C2 H9 107.874 H7 C3 H10 107.874
H7 C3 H11 107.874 H8 C2 H9 107.590
H10 C3 H11 107.590

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