Talk:Mod:XYZ1234
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Bonding and Molecular Orbitals in Main Group Compounds
Shuk Yi Chan
Optimized Parameters Angstroms and Degrees) -------------------------- -------------------------- Name Definition Value Derivative Info. -------------------------------------------------------------------------------- R1 R(1,2) 1.1944 -DE/DX = 0.0 R2 R(1,3) 1.1943 -DE/DX = 0.0 R3 R(1,4) 1.1944 -DE/DX = 0.0 A1 A(2,1,3) 120.0005 -DE/DX = 0.0 A2 A(2,1,4) 119.999 -DE/DX = 0.0 A3 A(3,1,4) 120.0005 -DE/DX = 0.0 D1 D(2,1,4,3) 180.0 -DE/DX = 0.0 --------------------------------------------------------------------------------