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examples
ad634a.psi1, ad634a.psi2, ad634a.psicon, ad635a.psi1, ad635a.psi2, ad635a.psicon, ad636a.psi1, ad636a.psi2, ad636a.psicon, ch3cl.psi1, ch3cl.psi2, ch3cl.psicon, test.psi1, test.psi2, test.psicon 

6-31G*              
 1 1 0 1
  0.075000

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