! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl   0.6890914443  -1.7798592641  -1.7986947619
Cl   4.9123956430   1.2290754353  -0.5727084915
O   -1.0600989222  -1.6580622895   0.5777353189
O   -1.2596644390   0.2612133609   1.7220125544
N   -1.4038102692   1.6935945292  -0.8610151485
N   -0.5842652104   2.0282264563  -1.8604270869
N   -1.1178083659   3.8332176497  -0.6489944329
C   -0.8436955973  -0.2786469650   0.5038607676
C   -1.4954366745  -2.0122969915   1.8905299543
C   -1.1448509075  -0.7673868477   2.6917978107
C   -2.9749045970  -2.3565306467   1.9044757995
C   -1.7311778832   0.3151271734  -0.6011672737
C    0.6283104226   0.0356648705   0.2455368708
C   -3.3463309434  -3.4980474796   0.9668169076
C    1.3708155411  -0.5670623212  -0.7674581464
C    1.2588480184   1.0277701498   0.9892754368
C   -4.8356443597  -3.8056350898   0.9896161497
C    2.6870210136  -0.2134722446  -1.0211487656
C    2.5707588086   1.4048712379   0.7565425224
C   -1.7057349492   2.7777193616  -0.1401949970
C    3.2754806800   0.7752259062  -0.2526033433
C   -0.4441301579   3.3177880035  -1.6970903471
H   -0.9092175325  -2.8751851887   2.2188897284
H   -1.8398982311  -0.5578981765   3.5046985821
H   -0.1307741491  -0.8173498914   3.1032797029
H   -3.5656827947  -1.4651986281   1.6626119252
H   -3.2400573603  -2.6289976014   2.9314581351
H   -2.7775602806   0.2375307214  -0.3030502209
H   -1.6052722392  -0.2342135303  -1.5305229803
H   -2.7832983397  -4.3942498942   1.2462506285
H   -3.0432338110  -3.2513554375  -0.0534437402
H    0.7151581345   1.5343163750   1.7742297804
H   -5.0802241456  -4.6362906689   0.3257478856
H   -5.1758358865  -4.0765258395   1.9913079587
H   -5.4239672302  -2.9446268004   0.6653618938
H    3.2396702875  -0.6991227951  -1.8134229887
H    3.0261042758   2.1828346213   1.3534415114
H   -2.3512045716   2.7521840870   0.7236395424
H    0.1628210557   3.9122560055  -2.3624082872
*