Wrong symmetry detected for simple tetrahedral molecule


#1

When using this input file:
memory 5 gb

molecule ccl4 {                                                                                          
  C                                                                                                      
  Cl   1  1.7817290513034312                                                                             
  Cl   1  1.7817290513034312  2  109.4710                                                                
  Cl   1  1.7817290513034312  2  109.4710  3  120.0000                                                   
  Cl   1  1.7817290513034312  2  109.4710  3 -120.0000                                                   
}                                                                                                        
                                                                                                         
set {                                                                                                    
    basis cc-pV(D+d)Z                                                                                    
}                                                                                                        
                                                                                                         
energy('ccsd')                             

The symmetry is detected as C3v, and the highest order abelian subgroup as Cs. Relevant part of the output:
==> Geometry <==

    Molecular point group: cs                                                                            
    Full point group: C3v                                                                                
                                                                                                         
    Geometry (in Angstrom), charge = 0, multiplicity = 1:                                                
                                                                                                         
       Center              X                  Y                   Z               Mass                   
    ------------   -----------------  -----------------  -----------------  -----------------            
           C          0.000000000000    -0.000004468190     0.000000000000    12.000000000000            
          CL          0.000000000000     1.781724583113     0.000000000000    34.968852682000            
          CL         -0.839916273116    -0.593907683266     1.454777659141    34.968852682000            
          CL         -0.839916273116    -0.593907683266    -1.454777659141    34.968852682000            
          CL          1.679832546232    -0.593907683266     0.000000000000    34.968852682000            
                                                                                                         
  Running in cs symmetry.          

The full point group should be Td, and the abelian subgroup used should be order 4. Is there any way to get Psi4 to use an order 4 symmetry group for this? Entering d2 group explicitly in the geometry section errors saying d2 is not a subgroup of c3v, entering c3 errors saying it’s an unknown group. I’ve tried reorienting the molecule so one of the axis in D2 is on the y axis; then the highest detected point group is C1, but the run is still in Cs.

I’m running a conda installation as per the instructions on the main site, the version of Psi4 is 1.1