! 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  -0.5300182094  -0.9938702485  -2.7424145411
Cl  -4.1904118329   1.2263699321   0.4812647962
O    0.5034587135  -3.1941474375   0.5989649805
N    1.5380303289  -2.4548697329   0.1131198613
N    1.6598485884   3.1990400738   0.2187522368
C    2.2637187196  -0.3756391425  -0.7857186823
C    1.1970307230  -1.2851505173  -0.2414216359
C   -0.1676526810  -0.7277083275  -0.0773559518
C    2.3276588631   0.9046067887   0.0011342879
C   -1.0146200373  -0.5054411764  -1.1548026513
C   -0.6078112638  -0.3484550664   1.1875168112
C    2.9782403650   0.9761751969   1.2265479147
C    1.6843214785   2.0527925113  -0.4472740020
C   -2.2554143067   0.0931374529  -0.9999768259
C   -1.8405469177   0.2498701180   1.3740509116
C   -2.6516237907   0.4691108981   0.2716445151
C    2.9630040912   2.1687516174   1.9310618127
C    2.2879415896   3.2505240354   1.3863437480
C    0.9709766145  -4.4587863623   1.0270728925
H    3.2205772359  -0.8986575289  -0.7579225394
H    2.0529185718  -0.1511421213  -1.8343610494
H    0.0328575700  -0.5116670896   2.0440677400
H    3.4918531810   0.1095615090   1.6261330000
H    1.1643964713   2.0418624818  -1.4008874020
H   -2.8965705060   0.2597023246  -1.8542704061
H   -2.1592498072   0.5423122140   2.3647694200
H    3.4633939589   2.2623669148   2.8852456465
H    2.2552879725   4.1974000053   1.9136226615
H    1.7210677309  -4.3703350099   1.8165333801
H    1.3873183859  -5.0414325982   0.2016968551
H    0.1035446109  -4.9830961014   1.4246694353
*