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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/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5859   0.0000 0.0000 0.5859
C2 0.0000 1.2729 -0.2599   0.7439 -1.0329 -0.2599
C3 0.0000 -1.2729 -0.2599   -0.7439 1.0329 -0.2599
H4 0.8700 0.0000 1.2380   -0.7059 -0.5084 1.2380
H5 -0.8700 0.0000 1.2380   0.7059 0.5084 1.2380
H6 0.0000 2.1618 0.3635   1.2634 -1.7542 0.3635
H7 0.0000 -2.1618 0.3635   -1.2634 1.7542 0.3635
H8 0.8770 1.3170 -0.8999   0.0581 -1.5812 -0.8999
H9 -0.8770 1.3170 -0.8999   1.4813 -0.5562 -0.8999
H10 -0.8770 -1.3170 -0.8999   -0.0581 1.5812 -0.8999
H11 0.8770 -1.3170 -0.8999   -1.4813 0.5562 -0.8999
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5283 1.5283 1.0872 1.0872 2.1732 2.1732 2.1705 2.1705 2.1705 2.1705
C2 1.5283 2.5458 2.1496 2.1496 1.0857 3.4908 1.0865 1.0865 2.8083 2.8083
C3 1.5283 2.5458 2.1496 2.1496 3.4908 1.0857 2.8083 2.8083 1.0865 1.0865
H4 1.0872 2.1496 2.1496 1.7399 2.4890 2.4890 2.5110 3.0589 3.0589 2.5110
H5 1.0872 2.1496 2.1496 1.7399 2.4890 2.4890 3.0589 2.5110 2.5110 3.0589
H6 2.1732 1.0857 3.4908 2.4890 2.4890 4.3236 1.7547 1.7547 3.8036 3.8036
H7 2.1732 3.4908 1.0857 2.4890 2.4890 4.3236 3.8036 3.8036 1.7547 1.7547
H8 2.1705 1.0865 2.8083 2.5110 3.0589 1.7547 3.8036 1.7539 3.1646 2.6340
H9 2.1705 1.0865 2.8083 3.0589 2.5110 1.7547 3.8036 1.7539 2.6340 3.1646
H10 2.1705 2.8083 1.0865 3.0589 2.5110 3.8036 1.7547 3.1646 2.6340 1.7539
H11 2.1705 2.8083 1.0865 2.5110 3.0589 3.8036 1.7547 2.6340 3.1646 1.7539
Maximum atom distance is 4.3236Å 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 112.794
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.352 C1 C2 H8 111.087
C1 C2 H9 111.087 C1 C3 H7 111.352
C1 C3 H10 111.087 C1 C3 H11 111.087
C2 C1 H4 109.386 C2 C1 H5 109.386
C3 C1 H4 109.386 C3 C1 H5 109.386
H4 C1 H5 106.295 H6 C2 H8 107.756
H6 C2 H9 107.756 H7 C3 H10 107.756
H7 C3 H11 107.756 H8 C2 H9 107.631
H10 C3 H11 107.631

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