CHEM 3303 - Supplementary Problems - Part 4

Z-Matrices

Question 1
For each of the following molecules, give an appropriate Z-matrix with the correct number of variables:

  1. cis-Cl2C2H2 [Solution]
  2. trans-Cl2C2H2 [Solution]
  3. C(NH2)2 (parent acyclic NHC, planar) [Solution]
  4. S8 (crown geometry) [Solution]
  5. SOCl2 [Solution]

Question 2
For each of the following Z-matrices, give an appropriate perspective drawing and Point Group:

  1. p
    x 1 1.0
    p 1 b1 2 a1
    p 1 b1 2 a1 3 180.0
    h 3 b2 1 a2 2 d2
    h 4 b2 1 a2 2 d2
    h 3 b3 1 a3 5 d3
    h 4 b3 1 a3 6 d3
    h 3 b4 1 a4 5 d4
    h 4 b4 1 a4 6 d4

    b1 2.2
    b2 1.5
    b3 1.5
    b4 1.5
    a1 120.0
    a2 109.5
    a3 109.5
    a4 109.5
    d2 30.0
    d3 120.0
    d4 -120.0
    [Solution]
  2. c
    h 1 b1
    c 1 b2 2 a2
    c 1 b3 2 a3 3 180.0
    cl 3 b4 1 a4 4 180.0
    h 4 b5 1 a5 3 180.0
    c 3 b6 1 a6 2 180.0
    c 4 b7 1 a7 2 180.0
    h 7 b8 3 a8 1 180.0
    f 8 b9 4 a9 1 180.0
    c 7 b10 3 a10 5 180.0
    c 11 b11 7 a11 3 180.0
    x 12 1.0 11 90.0 7 180.0
    n 12 b12 13 a12 11 180.0

    b1 1.09
    b2 1.4
    b3 1.4
    b4 1.76
    b5 1.09
    b6 1.4
    b7 1.4
    b8 1.09
    b9 1.35
    b10 1.4
    b11 1.5
    b12 1.3
    a2 120.0
    a3 120.0
    a4 120.0
    a5 120.0
    a6 120.0
    a7 120.0
    a8 120.0
    a9 120.0
    a10 120.0
    a11 120.0
    a12 90.0
    [Solution]