! 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  -6.9374969324   3.9214161622   0.5116564791
O    1.4762803295   0.9432439651   0.0719597063
O    1.2481308475  -3.1008644540   0.8859822887
N    2.1787692344  -1.2011641720   0.0591850153
N    3.2425854502  -3.2802172131  -0.1760328091
N    4.8869926767  -4.7398659125  -0.1113392547
C    1.0012261200  -0.3409343396   0.3958570867
C    3.3545260684  -0.3581153038  -0.2883298509
C    2.8604886969   0.9606181028   0.3052558478
C   -0.1803451969  -0.6659537396  -0.5179779300
C    0.6457095173  -0.3979376666   1.8799372754
C    4.6585093920  -0.7614043590   0.3840152243
C    3.5349536766  -0.2064063483  -1.7957152159
C   -1.4871803339   0.0672229569  -0.2216391831
C    2.1381239305  -2.5148178637   0.3059438454
C   -1.4603689975   1.5868902262  -0.4069561887
C   -2.8194695287   2.1888469166  -0.1890393695
C    3.5808210284  -3.5388463014  -1.4816389153
C    4.0478960032  -4.0487716024   0.6036598482
C   -3.7183580347   2.3472555431  -1.2405080079
C   -3.2297908056   2.5709590746   1.0860129553
C    4.5978346514  -4.4408115803  -1.4146619677
C   -4.9845359289   2.8761710399  -1.0361244996
C   -4.4912583477   3.1004281675   1.3127469289
C   -5.3603638484   3.2500091670   0.2439474992
H    3.0964546466   1.0273302733   1.3757235559
H    3.2940911415   1.8292658601  -0.1904758441
H   -0.3865393489  -1.7346580414  -0.4469378661
H    0.1271422175  -0.4749567333  -1.5503533692
H    1.5317384926  -0.3259492258   2.5122136007
H    0.1192987231  -1.3099656134   2.1461185672
H   -0.0015095859   0.4445491488   2.1264044488
H    4.5153905430  -1.0226771458   1.4331680571
H    5.3371079942   0.0934816297   0.3545086503
H    5.1696585776  -1.5799768980  -0.1193369650
H    2.6140687412   0.1124903606  -2.2845680764
H    4.2973762524   0.5477669216  -1.9970777346
H    3.8693077886  -1.1278782580  -2.2669764253
H   -2.2433603913  -0.3475302943  -0.8940050810
H   -1.8329532405  -0.1734525304   0.7874614494
H   -1.1060974185   1.8215982007  -1.4141079951
H   -0.7524582293   2.0444976752   0.2849807801
H    3.0507339765  -3.1127436165  -2.3155252232
H    3.9839282977  -4.0349968753   1.6806470260
H   -3.4282566125   2.0609129588  -2.2445874068
H   -2.5520448410   2.4617580027   1.9248074896
H    5.1288496282  -4.8947002504  -2.2366727803
H   -5.6646383181   2.9979682058  -1.8684933160
H   -4.7865046038   3.3963413247   2.3105269807
*