memory 300 GB

molecule mol {
0 1 
--
1 2
6       -0.138580000      4.557093000      0.610298000
6        1.003896000      5.170643000      0.138977000
6        2.194267000      4.431931000      0.049424000
6        2.245049000      3.110347000      0.452577000
6        1.098337000      2.463431000      0.963867000
6       -0.105965000      3.210183000      1.015253000
6       -1.222891000      0.896205000      1.859824000
6        0.094210000      0.367344000      1.777940000
7        1.182755000      1.149316000      1.415493000
6       -2.308777000      0.077098000      2.228923000
6       -2.110455000     -1.255964000      2.514619000
6       -0.810374000     -1.789029000      2.442590000
6        0.268019000     -0.998395000      2.099702000
1        2.091343351      0.730937468      1.458978464
1       -1.086538000      5.095561000      0.640426000
1        0.968785000      6.208362000     -0.191755000
1        3.095965000      4.898117000     -0.350150000
1        3.177599000      2.556922000      0.367830000
1       -3.312179000      0.503920000      2.251249000
1       -2.958656000     -1.893573000      2.761208000
1        1.260207000     -1.440726000      2.055004000
1       -0.646173000     -2.847200000      2.645741000
16      -1.606147000      2.552592000      1.567105000
--
-1 2
1        0.272165177     -2.057802863     -1.346509987
6       -0.562810000     -1.509361000     -1.279485000
7       -2.796732000     -0.078490000     -0.983047000
6       -1.637554000      0.491947000     -1.450579000
6       -2.756797000     -1.367357000     -0.731949000
7       -0.487381000     -0.240886000     -1.590864000
7       -1.671715000     -2.169016000     -0.864662000
6       -3.992909000     -2.005867000     -0.190154000
6       -5.170649000     -1.261611000     -0.022441000
6       -6.310004000     -1.852302000      0.521543000
6       -6.291372000     -3.197969000      0.903873000
6       -3.983971000     -3.357034000      0.186464000
6       -5.125583000     -3.947760000      0.731456000
6       -1.616761000      1.884516000     -1.809807000
6       -0.453624000      2.480163000     -2.375609000
6       -2.747325000      2.724034000     -1.609701000
6       -2.708913000      4.071702000     -1.952319000
6       -1.557887000      4.641703000     -2.514324000
6       -0.436250000      3.821151000     -2.726529000
1       -1.540863000      5.695229000     -2.801181000
1        0.465881000      4.244055000     -3.177309000
1       -3.598713000      4.688490000     -1.796117000
1       -3.655759000      2.280635000     -1.199848000
1        0.416726000      1.844819000     -2.543823000
1       -3.062812000     -3.923309000      0.043170000
1       -7.221802000     -1.262908000      0.644182000
1       -5.167090000     -0.215306000     -0.331576000
1       -5.106778000     -5.001470000      1.020188000
1       -7.185216000     -3.660745000      1.328562000
symmetry c1
no_reorient
no_com
}

# => Standard Options <= #

set {
stability_analysis follow
maxiter 160
reference uhf
basis         jun-cc-pvdz
scf_type df
soscf true
soscf_max_iter 30
guess sad
freeze_core true
}

energy('sapt0')