molecule bh {
C        0.724747   -0.997528    3.320145
C       -0.724747   -0.997528    3.320145
C       -1.421387   -1.956372    2.587654
C       -0.696641   -2.953900    1.825610
C        0.696641   -2.953900    1.825610
C        1.421387   -1.956372    2.587654
C        1.172664    0.381022    3.320145
C       -0.000000    1.233012    3.320145
C       -1.172664    0.381022    3.320145
C       -2.299853    0.747267    2.587654
C       -2.594052   -1.575350    1.825610
C       -1.421387   -3.189384    0.592598
C       -0.724747   -3.415736   -0.592598
C        0.724747   -3.415736   -0.592598
C        1.421387   -3.189384    0.592598
C        2.594052   -2.337393    0.592598
C        2.594052   -1.575350    1.825610
C        3.024599   -0.250261    1.825610
C        2.299853    0.747267    2.587654
C        0.000000    2.418208    2.587654
C        1.172664    2.799230    1.825610
C        2.299853    1.980280    1.825610
C        3.024599    1.744795    0.592598
C        3.472517    0.366246    0.592598
C        3.472517   -0.366246   -0.592598
C        3.024599   -1.744795   -0.592598
C        2.299853   -1.980280   -1.825610
C        1.172664   -2.799230   -1.825610
C       -2.594052   -2.337393    0.592598
C       -1.172664   -0.381022   -3.320145
C       -2.299853   -0.747267   -2.587654
C       -3.024599    0.250261   -1.825610
C       -2.594052    1.575350   -1.825610
C       -1.421387    1.956372   -2.587654
C        0.724747    0.997528   -3.320145
C        1.172664   -0.381022   -3.320145
C        0.000000   -1.233012   -3.320145
C       -0.000000   -2.418208   -2.587654
C       -1.172664   -2.799230   -1.825610
C       -2.299853   -1.980280   -1.825610
C       -3.472517   -0.366246   -0.592598
C       -3.472517    0.366246    0.592598
C       -3.024599    1.744795    0.592598
C       -2.594052    2.337393   -0.592598
C       -1.421387    3.189384   -0.592598
C       -0.696641    2.953900   -1.825610
C        0.696641    2.953900   -1.825610
C        1.421387    1.956372   -2.587654
C        2.299853   -0.747267   -2.587654
C        3.024599    0.250261   -1.825610
C        2.594052    1.575350   -1.825610
C        2.594052    2.337393   -0.592598
C        1.421387    3.189384   -0.592598
C        0.724747    3.415736    0.592598
C       -0.724747    3.415736    0.592598
C       -1.172664    2.799230    1.825610
C       -2.299853    1.980280    1.825610
C       -3.024599   -1.744795   -0.592598
C       -3.024599   -0.250261    1.825610
C       -0.724747    0.997528   -3.320145
}


psi4.set_memory('8 GB')
psi4.set_num_threads(6)  


set {
   basis def2-tzvp
}


energy('b3lyp')