! 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   1.7340780873  -0.8574547741   2.7254701280
Cl  -7.6734885889  -0.2737194596  -1.8696048360
O    3.5144365631  -0.2189027219   0.4485861660
O    2.7065409283   0.8897905157  -1.3230755384
O   -2.6106860358  -1.9359835830   0.5569672543
N    3.7127013191   2.5956758419   0.7027510859
N    4.7208536319   2.3815897463   1.5496913064
N    5.3350527468   3.8227660341  -0.0498815936
C    2.4638214410   0.5868508568   0.0255005004
C    4.0736255484  -0.8685748482  -0.6855223199
C    2.4611814345   1.8988370971   0.8228798378
C    3.8397038446   0.1661990496  -1.7793639879
C    1.1041360696  -0.0934310929   0.1719335957
C    3.4389886199  -2.2178019581  -0.9633866398
C    0.7042474459  -0.7480064825   1.3359612682
C    0.1850818844  -0.0552103925  -0.8729343114
C   -0.5449947481  -1.3339747214   1.4548100420
C   -1.0653321537  -0.6437398655  -0.7877064670
C   -1.4285658460  -1.2841685842   0.3879287863
C    4.0935753251   3.4524991868  -0.2484971645
C    5.6690479940   3.1386291272   1.0630843232
C   -3.7550846918  -1.4949514300  -0.0460409489
C   -4.1013027423  -0.1508860965  -0.0969079168
C   -4.6123638563  -2.4619840013  -0.5497937682
C   -5.3080519685   0.2239145349  -0.6659922207
C   -5.8250082814  -2.0885425906  -1.1063377713
C   -6.1626409189  -0.7459658543  -1.1663855726
H    5.1380052524  -0.9999140189  -0.4832869041
H    2.2699278611   1.7216024325   1.8789062779
H    1.6646121128   2.5405435532   0.4469676235
H    4.6946244505   0.8387830062  -1.8945866612
H    3.6200014951  -0.2808891285  -2.7507562060
H    3.4756278727  -2.8543540705  -0.0787866916
H    3.9886470745  -2.7238774359  -1.7584359620
H    2.3983872358  -2.1360796748  -1.2813017067
H    0.4532808455   0.4398999647  -1.7953547036
H   -0.8327413598  -1.8355744993   2.3694564471
H   -1.7330118432  -0.6027426920  -1.6381180556
H    3.4409516129   3.7790420502  -1.0426503612
H    6.6398717541   3.2052735185   1.5294797633
H   -3.4485149512   0.6120005875   0.3076025739
H   -4.3385278510  -3.5079923714  -0.5004134388
H   -5.5776906013   1.2704404072  -0.7060808179
H   -6.4937608234  -2.8450561902  -1.4937558033
*