! 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  -0.8551181073  -1.2538706906   2.5642387167
Cl  -4.1173225686   1.3047694752  -0.8324225077
O    0.6147146435  -3.1085785215  -0.8280792700
N    1.5671321747  -2.4127562378  -0.1509959923
N    3.2251568767   2.2549014153  -1.3681791450
C    2.1451944676  -0.4315678647   1.0292886477
C    1.1642596870  -1.2878530310   0.2755795389
C   -0.1786263075  -0.7218454484   0.0028730568
C    2.2721765668   0.9207098611   0.3834697354
C   -1.1506286937  -0.6060922079   0.9872739863
C   -0.4663115685  -0.2128608587  -1.2601675476
C    1.5198232405   2.0094926431   0.8047779042
C    3.1068638617   1.1086969073  -0.7127582199
C   -2.3674593948   0.0127623351   0.7467374220
C   -1.6721960879   0.4067141536  -1.5319073553
C   -2.6112003992   0.5175055213  -0.5185670896
C    1.6311482650   3.2121593818   0.1269450758
C    2.4952224794   3.2833198327  -0.9539048954
C    1.1511981898  -4.3311747322  -1.2960900610
H    1.8156495034  -0.3157249086   2.0645425309
H    3.1069705532  -0.9457977348   1.0571395911
H    0.2746421198  -0.2863984511  -2.0451359112
H    0.8541933727   1.9210861892   1.6551161308
H    3.7141999647   0.2839878827  -1.0741111903
H   -3.1064380343   0.0960535164   1.5309577209
H   -1.8709483991   0.8009074224  -2.5182126661
H    1.0592882719   4.0791566691   0.4277415039
H    2.6022657395   4.2092004772  -1.5074962732
H    1.9940943696  -4.1733346124  -1.9727830009
H    0.3481630165  -4.8230336403  -1.8421913670
H    1.4681015399  -4.9774946697  -0.4741250178
*