! 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   0.8651339320  -0.3672324322  -3.0327147938
Cl   3.6997486498  -2.7726838341   0.8098007337
O   -0.6855406640   2.1510840892   0.2212480259
N   -2.2401094779  -0.3576006306   0.1500436216
N   -2.3570056048  -2.0850569447   1.5135223837
C   -0.5525525353   1.1877253636  -0.7881997678
C   -1.8686177272   0.4219953222  -1.0031209864
C    0.5492758321   0.2343429324  -0.3993297657
C    1.2232724809  -0.5355425187  -1.3427059302
C    0.8823912461   0.0371184675   0.9378826687
C   -2.7722745854   0.1077586062   1.3208685342
C   -2.0004368298  -1.6766729115   0.3259484385
C   -1.2462353265   3.3770891766  -0.2097414983
C    2.1948044382  -1.4585926233  -0.9895652905
C    1.8447060405  -0.8803923288   1.3228093207
C    2.4945123429  -1.6218609578   0.3511934160
C   -2.8415722098  -0.9760238669   2.1462407723
C   -1.2783129140   4.3118535109   0.9521754276
C   -2.3542038176   4.9921935189   1.3214541117
H   -0.3024125192   1.6693940364  -1.7428927526
H   -2.6737303884   1.1159959753  -1.2463546400
H   -1.7718190662  -0.2483412587  -1.8565009689
H    0.3792562491   0.6089320202   1.7049273670
H   -3.0602932104   1.1358478813   1.4610224783
H   -1.5725556736  -2.2876071753  -0.4551030067
H   -0.6286947539   3.8031973020  -1.0129929356
H   -2.2560238389   3.2473779742  -0.6176480933
H    2.7044339573  -2.0366406148  -1.7478780306
H    2.0787147980  -1.0137509930   2.3698670373
H   -3.2187647604  -1.0147917544   3.1567785808
H   -0.3411846805   4.4485299498   1.4816762493
H   -2.3241936842   5.6930103293   2.1459151035
H   -3.3046041051   4.8831096369   0.8136131030
*