memory 1 GB

#  O       -0.2676114919        1.2882448556        1.1376920381
#  H        0.6079438700        1.1754360136        1.5477055633
#  O        1.9219941978       -0.1299154271        0.5881401406
#  H        2.3295873462       -0.9873444107        0.7740770558
#  C       -1.4394945858        0.4222507471       -0.7796275226
#  C       -0.0895635978        0.9075010360       -0.2216301373
#  C        0.8144716986       -0.3380665325       -0.2852465395
#  C       -0.1388095315       -1.4736211755        0.1068106665
#  C       -1.4242054838       -1.1332584211       -0.6727815130
#  H       -1.5792176410        0.7492347933       -1.8216535838
#  H       -1.3870813066       -1.5841533979       -1.6783401278
#  H       -2.3233186484       -1.5332676688       -0.1811985927
#  H        0.2571532393       -2.4765447871       -0.1210088074
#  H       -0.3163569554       -1.4046004080        1.1922423256
#  H        1.1668486014       -0.4812655416       -1.3273320479
#  H        0.3337249142        1.7475357088       -0.8053247564
#  H       -2.2416336254        0.8776306158       -0.1810941613

mol = psi4.core.Molecule.from_arrays(
    elez=[8, 1, 8, 1, 6, 6, 6, 6, 6, 1, 1, 1, 1, 1, 1, 1, 1],
    fragment_separators=[2, 4],
    fix_com=True,
    fix_orientation=True,
    fix_symmetry='c1',
    fragment_multiplicities=[2, 2, 1],
    molecular_charge=0,
    molecular_multiplicity=1,
    geom= [
      -0.2676114919   ,    1.2882448556   ,    1.1376920381 ,
       0.6079438700   ,    1.1754360136   ,    1.5477055633 ,

       1.9219941978   ,   -0.1299154271   ,    0.5881401406 ,
       2.3295873462   ,   -0.9873444107   ,    0.7740770558 ,

      -1.4394945858   ,    0.4222507471   ,   -0.7796275226 ,
      -0.0895635978   ,    0.9075010360   ,   -0.2216301373 ,
       0.8144716986   ,   -0.3380665325   ,   -0.2852465395 ,
      -0.1388095315   ,   -1.4736211755   ,    0.1068106665 ,
      -1.4242054838   ,   -1.1332584211   ,   -0.6727815130 ,
      -1.5792176410   ,    0.7492347933   ,   -1.8216535838 ,
      -1.3870813066   ,   -1.5841533979   ,   -1.6783401278 ,
      -2.3233186484   ,   -1.5332676688   ,   -0.1811985927 ,
       0.2571532393   ,   -2.4765447871   ,   -0.1210088074 ,
      -0.3163569554   ,   -1.4046004080   ,    1.1922423256 ,
       1.1668486014   ,   -0.4812655416   ,   -1.3273320479 ,
       0.3337249142   ,    1.7475357088   ,   -0.8053247564 ,
      -2.2416336254   ,    0.8776306158   ,   -0.1810941613
       ])
activate(mol)

# => Standard Options <= #

set {
basis         jun-cc-pvdz
scf_type df
guess sad
freeze_core true
}

energy('fisapt0')