Computer

Computer Exercises

Computer Exercises

Build a Dichloroethane Molecule01Exercise 1: trans-CICH,CH,Cl (PG: C2h)C01C 1rcccCl 1rclc2 aclccaC 1 1.53.53H1rhc2ahcc3dhcccllCI 1 1.762 109.5H1rhc2ahcc3-dhcccl11109.5°-HH 11.092109.53 120Cl2rclc1aclcc3dclccctransH 11.092109.53 -120H 2rhc1ahcc3dhcccl2cH2rhc1ahcc3-dhcccl2C121.761109.5 3180Variables:H21.0911095360.0rcc1.531.091109.5 3 -60.0H2rclc1.76Scathc 1.09CeTIITaclcc109.5ahcc109.5dhcccl1120dhccc1260Constants:dclccc1180

Build a Dichloroethane Molecule Exercise 1: trans-ClCH2CH2Cl (PG: C2h) 2(1) 0 1 C C 1 1.53 1.53 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. 109.5 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 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

Build an Ammonia MoleculeXExercise 2: NH, (PG: C3v)111.4°NN101.7pm107.5°101.7pm107.5°HHHHHHACaKII-No60区NH44HX 1 1.H 1 1.017 2 111.4N1(X2)120.0H11.0172111.433HH3H55HH 1 1.017 2 111.4 3 -120.0

Build an Ammonia Molecule Exercise 2: NH3 (PG: C3v) 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 X 111.4 H5 H4 H3 N1(X2)

Build a Chromium Hexacarbonyl ComplexExercise 3: Cr(CO)6(PG: Oh)G1:l:V1 -cr6co.gjf (F:/Teaching/2011/undergraduate/..XHOH90.°二C=o三Cl90.°a三C11.93-I1.14OCr configuration: (Ar)3d54s13atoms,108 electrons, neutral, singletInquireSelectAtom1

Build a Chromium Hexacarbonyl Complex Exercise 3: Cr(CO)6 (PG: Oh ) 1.93 1.14 Cr configuration: (Ar)3d54s1 90. 90.

Build a Benzene MoleculeExercise 4: C,H (PG: Doh)AG1:1l:VI-HewHH1.0841.397CCHHCCXCCHH

Build a Benzene Molecule Exercise 4: C6H6 (PG: D6h) C C C C C C H H H H H H X 1.397 1.084