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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

B1B95/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9460 1.0122 0.0000   -0.6129 -0.7206 1.0122
C2 0.6094 -0.0758 0.0000   0.3948 0.4642 -0.0758
C3 0.6094 -0.8961 1.2702   1.3624 -0.3587 -0.8961
C4 0.6094 -0.8961 -1.2702   -0.5727 1.2871 -0.8961
H5 1.4135 0.6594 0.0000   0.9158 1.0768 0.6594
H6 1.5238 -1.4967 1.3126   1.9871 0.3103 -1.4967
H7 1.5238 -1.4967 -1.3126   -0.0127 2.0111 -1.4967
H8 0.5734 -0.2609 2.1555   2.0134 -0.9597 -0.2609
H9 0.5734 -0.2609 -2.1555   -1.2705 1.8332 -0.2609
H10 -0.2473 -1.5723 1.2935   0.8251 -1.0264 -1.5723
H11 -0.2473 -1.5723 -1.2935   -1.1456 0.6496 -1.5723
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8982 2.7702 2.7702 2.3858 3.7573 3.7573 2.9284 2.9284 2.9734 2.9734
C2 1.8982 1.5120 1.5120 1.0895 2.1396 2.1396 2.1637 2.1637 2.1557 2.1557
C3 2.7702 1.5120 2.5403 2.1632 1.0948 2.8049 1.0902 3.4842 1.0917 2.7864
C4 2.7702 1.5120 2.5403 2.1632 2.8049 1.0948 3.4842 1.0902 2.7864 1.0917
H5 2.3858 1.0895 2.1632 2.1632 2.5266 2.5266 2.4898 2.4898 3.0679 3.0679
H6 3.7573 2.1396 1.0948 2.8049 2.5266 2.6252 1.7722 3.8024 1.7728 3.1519
H7 3.7573 2.1396 2.8049 1.0948 2.5266 2.6252 3.8024 1.7722 3.1519 1.7728
H8 2.9284 2.1637 1.0902 3.4842 2.4898 1.7722 3.8024 4.3110 1.7710 3.7801
H9 2.9284 2.1637 3.4842 1.0902 2.4898 3.8024 1.7722 4.3110 3.7801 1.7710
H10 2.9734 2.1557 1.0917 2.7864 3.0679 1.7728 3.1519 1.7710 3.7801 2.5871
H11 2.9734 2.1557 2.7864 1.0917 3.0679 3.1519 1.7728 3.7801 1.7710 2.5871
Maximum atom distance is 4.3110Å 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 108.117 Cl1 C2 C4 108.117
C3 C2 C4 114.290
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.233 C2 C3 H6 109.281
C2 C3 H8 111.477 C2 C3 H10 110.735
C2 C4 H7 109.281 C2 C4 H9 111.477
C2 C4 H11 110.735 C3 C2 H5 111.472
C4 C2 H5 111.472 H6 C3 H8 108.404
H6 C3 H10 108.344 H7 C4 H9 108.404
H7 C4 H11 108.344 H8 C3 H10 108.518
H9 C4 H11 108.518

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