! 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   1.7948912998  -0.6705064240  -2.0795643199
Cl   0.5138332582  -5.3847307223   0.0487681881
O   -0.7697120149   1.0448589104   1.2166593048
O   -0.1351705080   1.1968185406  -0.9310823585
N    1.5946333663   2.6318498023   0.7502613286
N    1.1353524931   3.3913196979   1.7474109329
N    1.7583451632   4.6656826334   0.0143794802
C    0.2116548838   0.6482693493   0.3086577641
C   -1.9057668494   1.5313476437   0.5080074102
C   -1.2608337714   2.0453301557  -0.7695123942
C   -2.9591572364   0.4551360013   0.2892395802
C    1.5604387358   1.1958544001   0.8034061466
C    0.2983138571  -0.8714190254   0.2051025541
C   -4.2721021868   1.0233353320  -0.2370615120
C    0.9744129492  -1.5319874128  -0.8195499420
C   -0.2828337241  -1.6587942660   1.1941107084
C   -5.3158908846  -0.0587414514  -0.4657186789
C    1.0422754102  -2.9161682167  -0.8775171448
C   -0.2273148051  -3.0417744789   1.1636637326
C    1.9554308318   3.4034860822  -0.2787827357
C    0.4330714054  -3.6600020171   0.1172920298
C    1.2560992942   4.6007903483   1.2644445122
H   -2.3264613635   2.3465012473   1.1017256636
H   -1.8969647679   1.9499391686  -1.6505238871
H   -0.9573770347   3.0935694272  -0.6818890452
H   -3.1455240098  -0.0504898997   1.2412175231
H   -2.5841370526  -0.3067255057  -0.4024984560
H    2.3783651144   0.8127111752   0.1956651994
H    1.7369401370   0.8753055334   1.8294809982
H   -4.1027864862   1.5626556273  -1.1737973139
H   -4.6585536487   1.7615271348   0.4721793202
H   -0.7993470428  -1.1850280296   2.0165281356
H   -6.2535209256   0.3628917427  -0.8303314055
H   -4.9760816672  -0.7890002968  -1.2027641840
H   -5.5361533842  -0.6007429163   0.4561308831
H    1.5656696684  -3.4023293316  -1.6889876999
H   -0.6952048896  -3.6205490277   1.9476509895
H    2.3548842045   3.0062287694  -1.1986316921
H    0.9783983818   5.4720189847   1.8370972296
*