! 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  -7.5691997619  -1.2821018755  -1.2512359769
F    3.4481231090  -1.4583707385  -0.9293826568
F    3.3494712064  -1.7417000798   1.2171650115
F    2.4063784305  -3.1183734854  -0.1083595723
O    3.5505401204   0.8224621214   0.4508683306
O   -2.0802248288  -2.0692195028   0.6270364502
N    3.2654014464   3.5270574474   0.6510469103
N    3.6315371334   4.3705001230  -0.3182412753
N    5.1216415135   4.4045843115   1.3519094605
C    2.4106814829   1.3506099999  -0.1744624255
C    1.2478156797   0.3766997389   0.0238083169
C    2.0951162882   2.6943958655   0.5421679674
C    2.6266618884   1.5851950496  -1.6690305679
C    1.3572261868  -1.0228381042   0.1374621989
C   -0.0403995904   0.9085836235   0.0546524037
C    0.2126943367  -1.7949559530   0.3150210253
C   -1.1807320657   0.1467052443   0.2350157830
C   -1.0456854408  -1.2216640276   0.3757324759
C    2.6494215782  -1.8099695784   0.0823641347
C    4.1644628849   3.5549621944   1.6370168263
C    4.7473660541   4.8727036851   0.1454223051
C   -3.3388699753  -1.8171333190   0.1601615453
C   -4.3932732919  -2.1226317793   1.0081771427
C   -3.5814395426  -1.3498949902  -1.1250729532
C   -5.6990081533  -1.9656717079   0.5727567959
C   -4.8876835383  -1.1787343222  -1.5558104591
C   -5.9379316879  -1.4884234187  -0.7059646293
H    1.3367598603   3.2768750769   0.0242536356
H    1.7360306270   2.4988441285   1.5527288300
H    2.8288784193   0.6523712611  -2.1927202409
H    1.7430076971   2.0335761242  -2.1228187718
H    3.4630497045   2.2636119976  -1.8488823570
H   -0.1872294675   1.9728345085  -0.0569189181
H    0.2748848925  -2.8688754620   0.4171344104
H    4.3294220215   1.0050305679  -0.0839944725
H   -2.1453943714   0.6351841939   0.2731939102
H    4.0739160933   2.9586996322   2.5312033654
H    5.3113068956   5.6096903100  -0.4055300206
H   -4.1964996249  -2.4920712900   2.0063624570
H   -2.7687854256  -1.1252076825  -1.8040404112
H   -6.5184941116  -2.2093125228   1.2351056188
H   -5.0764241032  -0.8149295891  -2.5565851018
*