! 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   0.7590439357  -0.7834794388  -2.1706847298
Cl   5.6165964478  -0.7868656283   0.0199196661
O   -1.0975931246  -0.4186370148   0.0719695568
O   -0.5506339991   0.8926562780   1.8064701998
N   -1.9492372276   2.1548032654  -0.3880702874
N   -2.5208019040   2.8797503520   0.5768154141
N   -4.0725410008   2.0753861424  -0.8230931522
C   -0.2528691340   0.6072706799   0.4668435986
C   -1.5321975356  -1.1253434982   1.2261576622
C   -1.5001022729  -0.0391634501   2.2926685553
C   -2.9010666282  -1.7186732019   0.9791763836
C   -0.5438749671   1.8521382223  -0.3851987062
C    1.2202684003   0.2251217020   0.3351707360
C   -2.9410858727  -2.7403945948  -0.1501933979
C    1.7463869927  -0.3885376514  -0.8011005580
C    2.1084068785   0.5241812362   1.3637796398
C   -4.3448715563  -3.2749636256  -0.3883092270
C    3.0924946477  -0.7062938963  -0.9049098454
C    3.4576793248   0.2220576112   1.2854771106
C   -2.8864259988   1.6703164670  -1.2063288079
C    3.9375636383  -0.3968068020   0.1460117087
C   -3.7912116153   2.8063784173   0.2742076057
H   -0.8138153964  -1.9212204144   1.4666168082
H   -2.4747014899   0.4468951739   2.4100039133
H   -1.1829295637  -0.4170965249   3.2656074600
H   -3.6089353063  -0.9083346160   0.7744619392
H   -3.2313129058  -2.1885484142   1.9111974451
H   -0.2206812111   1.7068852833  -1.4149125144
H    0.0020718338   2.7065654448   0.0125565771
H   -2.2663562589  -3.5696417069   0.0826552844
H   -2.5636112387  -2.2866305355  -1.0699532605
H    1.7461424590   1.0083031756   2.2590680537
H   -4.3597939398  -4.0097200022  -1.1944129249
H   -4.7467018604  -3.7591250071   0.5041232800
H   -5.0332718762  -2.4735200294  -0.6642938518
H    3.4710567218  -1.1875273388  -1.7958365901
H    4.1161248510   0.4703684592   2.1061521164
H   -2.6585196457   1.0482533829  -2.0574479857
H   -4.5444920149   3.3090677663   0.8612872180
*