! 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  -0.1890160393  -1.2182390057   2.8405833632
Cl  -4.4911163280  -1.7685281366  -0.3052377638
O    3.4334753388  -0.7765983111  -0.1831964948
N    2.1480741381  -1.2191413743  -0.2348624966
N   -0.1347787651   3.5007811969  -1.1866954152
C    1.6170552659   0.9185385461   0.9132928054
C    1.3142555717  -0.4267932371   0.3029918609
C   -0.1097033584  -0.8129921846   0.1684032797
C    1.3958190040   1.9850044714  -0.1268234858
C   -0.9007386172  -1.1398363770   1.2657329256
C   -0.7111890470  -0.8087883015  -1.0864804604
C    2.3973532788   2.3776136460  -1.0072538308
C    0.1483808262   2.5854291611  -0.2702059344
C   -2.2465354000  -1.4391805569   1.1359525651
C   -2.0543239820  -1.1038164754  -1.2484848955
C   -2.8103236215  -1.4097062455  -0.1293695375
C    2.1138907862   3.3369628569  -1.9656328876
C    0.8332435796   3.8654042792  -2.0179993171
C    4.3007180093  -1.7429481513  -0.7465277032
H    0.9502925034   1.0909022429   1.7587363539
H    2.6359731409   0.9580355169   1.2960838608
H   -0.1169625177  -0.5592895500  -1.9553880622
H    3.3872496883   1.9435193235  -0.9422342211
H   -0.6601257686   2.3151116348   0.4028069669
H   -2.8399313273  -1.6954390920   2.0025384434
H   -2.5001881882  -1.0873490576  -2.2331412711
H    2.8707656200   3.6723992031  -2.6615205022
H    0.5797361130   4.6145374153  -2.7597308048
H    5.3027495680  -1.3212809089  -0.6896240426
H    4.0595978192  -1.9426945795  -1.7930264158
H    4.2802610713  -2.6819897005  -0.1884057595
*