'noautoz'


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Gets Around
1:05:18 AM PST - Tue, Feb 17th 2015
When you get this sort of error try turning off autoz using 'noautoz' in the geometry block.

title "CS2"
charge 0

geometry units angstroms noautoz
symmetry c1
  S        0.00000        0.00000        1.56240
  C        0.00000        0.00000        0.00000
  S        0.00000        0.00000       -1.56240
end

basis
 * library 6-31G**
end

dft
 xc b3lyp
 mult 1
end

task dft energy