! 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  -1.3193418909   1.2095564976   1.8505176778
Cl  -5.2681246365  -0.8921866921  -1.0766375514
O    2.8054103925   2.3912119378  -0.3800084993
N    1.1560031990  -0.5354150249   1.0033055238
N    0.4234641596  -1.6095874207   0.6839763926
N    1.1070570270  -1.7374897704   2.8121072515
C    3.7637129727   0.2567530235  -0.8686124833
C    2.8024439357   1.0570417127   0.0478921120
C    3.8083504574  -1.2103151849  -0.4387687250
C    5.1679728168   0.8473277000  -0.7107252059
C    3.3400058371   0.3358107663  -2.3338304792
C    1.3876109357   0.5086156499   0.0827868088
C    0.4178007021   0.9545940973  -0.7136723880
C   -0.9828186605   0.5126254815  -0.7526891084
C    1.5544580025  -0.6292649338   2.2832362368
C   -1.8511713805   0.5675599200   0.3357965573
C   -1.5034613468   0.0437415535  -1.9581346660
C    0.4230177842  -2.2990590912   1.7923533638
C   -3.1675028697   0.1415148685   0.2480796459
C   -2.8101887136  -0.3932324847  -2.0755930035
C   -3.6315627003  -0.3459594633  -0.9608484065
H    3.2175198485   0.9839686514   1.0652177073
H    4.5753205274  -1.7364956296  -1.0101607965
H    4.0641705471  -1.3227720674   0.6175765814
H    2.8684524126  -1.7346855849  -0.6173035189
H    5.8878792032   0.2705805971  -1.2953280098
H    5.4984860774   0.8180382685   0.3309716492
H    5.2249202217   1.8812892015  -1.0506694972
H    4.0522100604  -0.2125996462  -2.9540485814
H    3.3126780994   1.3613039946  -2.7034391636
H    2.3590441678  -0.1116445516  -2.5036650365
H    0.6946758246   1.6983732324  -1.4518397014
H    2.2992159662   2.9184267808   0.2477477129
H    2.1415515750   0.1252627740   2.7817398712
H   -0.8581709570   0.0052824266  -2.8264921401
H   -0.0811134602  -3.2498269059   1.8692089395
H   -3.8177964543   0.1936452943   1.1102953748
H   -3.1777143551  -0.7656460675  -3.0214913648
*