! 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  -0.1983352142  -1.2565043739  -2.0638271247
Cl   4.7754861489   0.1317837255  -0.7444810769
O   -1.6969558632  -1.1225602450   0.5051361689
O   -1.2819761881   0.5182222561   1.9397871217
N   -1.2113379574   2.2638673910  -0.6680715067
N   -0.8729231324   3.1930515690   0.2257078057
N   -0.0429903815   3.7036012555  -1.7908146619
C   -1.1236638360   0.1384881018   0.6021556807
C   -1.3826003949  -1.8081867216   1.7094299734
C   -1.3021814592  -0.6643929895   2.7303333983
C   -2.4409245146  -2.8490162522   1.9988061309
C   -1.9363535025   1.0796888389  -0.2986688997
C    0.3614318367   0.1193057093   0.2331781207
C   -2.5598637923  -3.9161481429   0.9170466800
C    0.8529680595  -0.4886573365  -0.9200590978
C    1.2846797152   0.7555768141   1.0574224037
C   -3.6343621880  -4.9437125379   1.2362772443
C    2.2048988183  -0.4918568761  -1.2286816825
C    2.6399402478   0.7687246245   0.7758374349
C   -0.7025076499   2.5744028988  -1.8625915613
C    3.0887755549   0.1354670715  -0.3686560292
C   -0.1747669469   4.0356305139  -0.4918647052
H   -0.4045504728  -2.2968748595   1.6093882821
H   -2.1760552768  -0.6274923767   3.3855479967
H   -0.4084838060  -0.7380886998   3.3545648305
H   -3.4055022888  -2.3513662748   2.1457068216
H   -2.1875814209  -3.3205960874   2.9536285378
H   -2.8601722105   1.3559817899   0.2090697372
H   -2.2051130264   0.5632419608  -1.2173186124
H   -1.5956604171  -4.4184225945   0.7923936634
H   -2.7844553930  -3.4456237023  -0.0430649922
H    0.9409697603   1.2596637134   1.9490207680
H   -3.4293411476  -5.4621079295   2.1751574815
H   -4.6165506998  -4.4754221321   1.3276927922
H   -3.7052611747  -5.7000875489   0.4533059961
H    2.5586958273  -0.9759262733  -2.1282731174
H    3.3283417694   1.2683417168   1.4430977140
H   -0.8467658242   1.9625403742  -2.7392659169
H    0.2520961037   4.9295424174  -0.0650135108
*