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Computer Exercises

Computer Exercises. Build a Dichloroethane Molecule. 0 1 C C 1 rcc Cl 1 rclc 2 aclcc H 1 rhc 2 ahcc 3 dhcccl1 H 1 rhc 2 ahcc 3 -dhcccl1 Cl 2 rclc 1 aclcc 3 dclcccl H 2 rhc 1 ahcc 3 dhcccl2 H 2 rhc 1 ahcc 3 -dhcccl2 Variables: rcc 1.53 rclc 1.76 rhc 1.09 aclcc 109.5

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Computer Exercises

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  1. Computer Exercises

  2. Build a Dichloroethane Molecule 0 1 C C 1 rcc Cl 1 rclc 2 aclcc H 1 rhc 2 ahcc 3 dhcccl1 H 1 rhc 2 ahcc 3 -dhcccl1 Cl 2 rclc 1 aclcc 3 dclcccl H 2 rhc 1 ahcc 3 dhcccl2 H 2 rhc 1 ahcc 3 -dhcccl2 Variables: rcc 1.53 rclc 1.76 rhc 1.09 aclcc 109.5 ahcc 109.5 dhcccl1 120. dhcccl2 60. Constants: dclcccl 180. Exercise 1: trans-ClCH2CH2Cl(PG: C2h) 0 1 C C 1 1.53 4 6 5 1.53 1 1.09 1.76 Cl 1 1.76 2 109.5 H 1 1.09 2 109.5 3 120. H 1 1.09 2 109.5 3 -120. 2 7 109.5 3 8 6 Cl 2 1.76 1 109.5 3 180. H 2 1.09 1 109.5 3 60.0 H 2 1.09 1 109.5 3 -60.0 4 5 2(1) 8 7 3

  3. Build an Ammonia Molecule X 2 Exercise 2: NH3 (PG: C3v) 111.4 1 5 4 3 N X 1 1. H 1 1.017 2 111.4 H 1 1.017 2 111.4 3 120.0 H 1 1.017 2 111.4 3 -120.0 H4 N1(X2) H3 H5

  4. Build a Chromium Hexacarbonyl Complex Exercise 3: Cr(CO)6 (PG: Oh) 11 90. 5 7 10 6 1 4 90. 8 2 3 9 1.93 12 1.14 13 Cr configuration: (Ar)3d54s1

  5. Build a Benzene Molecule Exercise 4: C6H6 (PG: D6h) H H 13 12 1.084 1.397 C C 7 6 2 5 H H C C 1 X 11 8 C C 4 3 H H 10 9

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