NUMBER OF OCCUPIED ORBITALS NOT CONSISTENT WITH NUMBER OF ELECTRONS FOR CCSD

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Elizabeth Aubin

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May 8, 2024, 1:39:54 AMMay 8
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Hi, 

I am trying to run a molpro calculation with this input information but I keep getting the error: 

 NUMBER OF OCCUPIED ORBITALS NOT CONSISTENT WITH NUMBER OF ELECTRONS FOR CCSD. Can anyone help?
geometry={H;
           C1,H,r1;
           C2,C1,r2,H,theta1;
   C3,C2,r3,C1,theta2,H,beta;
           O,C3,r4,C2,theta3,C1,alpha}                                           !z-matrix geometry input
 
 
 basis=VTZ                                                                       !use VTZ basis
 hf                                                                              !closed-shell scf
 ccsd(t)
 optg
 freq
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