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Geometry for CH3CHClCH3 (Propane, 2-chloro-) 1A' CS

1910171554
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 INChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N

B3PW91/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8853 1.0209 0.0000   1.3505 0.0000 -0.0451
C2 0.5666 -0.0714 0.0000   -0.4122 0.0000 0.3953
C3 0.5666 -0.9028 1.2698   -1.0582 1.2698 -0.1282
C4 0.5666 -0.9028 -1.2698   -1.0582 -1.2698 -0.1282
H5 1.4152 0.6176 0.0000   -0.4112 0.0000 1.4883
H6 1.4680 -1.5259 1.2982   -2.1098 1.2982 0.1797
H7 1.4680 -1.5259 -1.2982   -2.1098 -1.2982 0.1797
H8 0.5573 -0.2688 2.1593   -0.5597 2.1593 0.2637
H9 0.5573 -0.2688 -2.1593   -0.5597 -2.1593 0.2637
H10 -0.3071 -1.5602 1.3038   -1.0187 1.3038 -1.2209
H11 -0.3071 -1.5602 -1.3038   -1.0187 -1.3038 -1.2209
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8169 2.7242 2.7242 2.3356 3.7026 3.7026 2.8995 2.8995 2.9489 2.9489
C2 1.8169 1.5178 1.5178 1.0930 2.1479 2.1479 2.1684 2.1684 2.1632 2.1632
C3 2.7242 1.5178 2.5397 2.1550 1.0961 2.7920 1.0924 3.4873 1.0939 2.7962
C4 2.7242 1.5178 2.5397 2.1550 2.7920 1.0961 3.4873 1.0924 2.7962 1.0939
H5 2.3356 1.0930 2.1550 2.1550 2.5065 2.5065 2.4868 2.4868 3.0673 3.0673
H6 3.7026 2.1479 1.0961 2.7920 2.5065 2.5963 1.7752 3.7900 1.7754 3.1499
H7 3.7026 2.1479 2.7920 1.0961 2.5065 2.5963 3.7900 1.7752 3.1499 1.7754
H8 2.8995 2.1684 1.0924 3.4873 2.4868 1.7752 3.7900 4.3187 1.7739 3.7958
H9 2.8995 2.1684 3.4873 1.0924 2.4868 3.7900 1.7752 4.3187 3.7958 1.7739
H10 2.9489 2.1632 1.0939 2.7962 3.0673 1.7754 3.1499 1.7739 3.7958 2.6075
H11 2.9489 2.1632 2.7962 1.0939 3.0673 3.1499 1.7754 3.7958 1.7739 2.6075
Maximum atom distance is 4.3187Å between atoms H8 and H9.
picture of Propane, 2-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C2 C3 109.226 Cl1 C2 C4 109.226
C3 C2 C4 113.569
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.736 C2 C3 H6 109.450
C2 C3 H8 111.302 C2 C3 H10 110.800
C2 C4 H7 109.450 C2 C4 H9 111.302
C2 C4 H11 110.800 C3 C2 H5 110.200
C4 C2 H5 110.200 H6 C3 H8 108.416
H6 C3 H10 108.328 H7 C4 H9 108.416
H7 C4 H11 108.328 H8 C3 H10 108.464
H9 C4 H11 108.464

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