#
memory 120 gb

set parallel true
psi4.set_num_threads(12)

molecule c6h6 {
 C  2.6606200000 -0.0000000000  0.0000000000
 C -2.6606200000  0.0000000000  0.0000000000
 C -1.3303100000  2.3041700000  0.0000000000
 C  1.3303100000  2.3041700000  0.0000000000
 C -1.3303100000 -2.3041700000  0.0000000000
 C  1.3303100000 -2.3041700000  0.0000000000
 H  4.7284700000 -0.0000000000  0.0000000000
 H -4.7284700000  0.0000000000  0.0000000000
 H  2.3642200000  4.0949900000  0.0000000000
 H -2.3642200000  4.0949900000  0.0000000000
 H  2.3642200000 -4.0949900000  0.0000000000
 H -2.3642200000 -4.0949900000  0.0000000000
symmetry D2h
units bohr
}

set{ basis aug-cc-pVDZ
roots_per_irrep [0,0,0,0,0,0,0,6]
CC_NUM_THREADS 12
}

set cceom {
  r_convergence 1e-3
  e_convergence 1e-5
  cc3_follow_root true
  vecs_cc3 20
}

energy('eom-cc3')