! 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   4.8860064273   0.2644203179   0.6539884352
O   -1.5897535184   0.4031297113   1.2537115062
N   -0.6292517327  -1.8742370805  -0.2696261975
N    0.2199166384  -1.6469274941   0.7385452265
N    1.2706689989  -2.6945343901  -0.9285726582
C   -2.2131337569   0.0261145546   0.0474643009
C   -3.7353399356   0.3400086794   0.2429701589
C   -1.6282483691   0.7948514226  -1.1755373749
C   -2.0225116454  -1.4899958659  -0.1815671798
C   -3.9378556724   1.8534607002   0.3829219217
C   -4.5746423465  -0.1595974841  -0.9376534347
C   -4.2829191611  -0.3155908608   1.5175631752
C   -0.6963265138   1.9677108209  -0.8553886671
C    0.6981436933   1.5582215585  -0.4629849879
C    0.0140047547  -2.4990616980  -1.2564844586
C    1.5220329841   0.9130961827  -1.3834537529
C    1.2104553041   1.8089482109   0.8060797544
C    1.3474490834  -2.1488258121   0.2976432143
C    2.8073144262   0.5160109568  -1.0536208367
C    2.4962435366   1.4222962810   1.1569471334
C    3.2838126563   0.7734903709   0.2216464720
H   -2.4441617237   1.1769027420  -1.7892194057
H   -1.0936254663   0.1108047265  -1.8405530090
H   -2.4759662129  -2.0700126527   0.6221202888
H   -2.4851334301  -1.7993846490  -1.1166550488
H   -3.6483122981   2.4062886639  -0.5122142788
H   -3.3829996850   2.2651753462   1.2263534204
H   -4.9946026917   2.0693896379   0.5553769398
H   -4.5924841536  -1.2486215335  -1.0109465964
H   -4.2397015861   0.2307100051  -1.9001837089
H   -5.6112489378   0.1597470240  -0.8133716698
H   -4.2270540037  -1.4054408741   1.4966038314
H   -3.7690369967   0.0274070282   2.4145859745
H   -5.3394333685  -0.0633411218   1.6324430238
H   -1.1292012272   2.6076362911  -0.0862290673
H   -0.6296723792   2.5820509702  -1.7578912722
H   -0.7314767087  -0.0414764293   1.3280389704
H   -0.4683318226  -2.7937654657  -2.1754299366
H    1.1590956534   0.7114948459  -2.3847492789
H    0.5982855715   2.3142892109   1.5429421413
H    2.2520723468  -2.1195801398   0.8841645303
H    3.4256539480   0.0099514844  -1.7827213721
H    2.8733773899   1.6241360267   2.1507618558
*