! 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   5.0395437096   2.8710973553  -1.1651524393
O   -2.4164544772  -0.4906570469   1.7205696110
N   -1.3129379306  -2.6194963739   0.0633488676
N   -0.2490858973  -2.7562631609  -0.7317170878
N    0.0346929254  -3.9260000525   1.1546054041
C   -2.3692347324  -0.3684259126   0.3136881551
C   -3.5794928661   0.4864126267  -0.2055408329
C   -1.0256463899   0.3080071475  -0.0380785597
C   -2.4352409099  -1.7831108909  -0.2973415458
C   -3.6672093581   1.7994708712   0.5805137088
C   -3.4315253878   0.8150819421  -1.6938772868
C   -4.9125559431  -0.2516330432  -0.0183885288
C    0.1066634462   0.1612105051   0.9850764405
C    1.3523154582   0.8283822799   0.4711032012
C   -1.1307292720  -3.3218111223   1.1828602295
C    1.5894503281   2.1794893261   0.7112949138
C    2.2791336624   0.1271024098  -0.2955158530
C    0.5312902907  -3.5488068347  -0.0389545387
C    2.7158504353   2.8167391148   0.2120722554
C    3.4140914472   0.7436035882  -0.8005688574
C    3.6224147146   2.0886879540  -0.5409983578
H   -1.1779866023   1.3789221928  -0.1823776459
H   -0.6815048001  -0.0638957801  -1.0063028459
H   -3.3356713581  -2.2996097676   0.0353815815
H   -2.4669811561  -1.7477912804  -1.3843368522
H   -3.8455329413   1.6365957879   1.6432335808
H   -4.4976641197   2.3987659001   0.2030304405
H   -2.7696994901   2.4117505996   0.4875135412
H   -4.2891850531   1.4012072144  -2.0298811814
H   -3.3941283938  -0.0761490884  -2.3222535031
H   -2.5417713030   1.4073391228  -1.9063203074
H   -5.7390892258   0.4132062125  -0.2739898053
H   -5.0085296873  -1.1277414634  -0.6593586729
H   -5.0913098307  -0.5724105376   1.0104913419
H    0.3232874038  -0.8838228575   1.2080108204
H   -0.1861540109   0.6255545239   1.9274937761
H   -3.2793473094  -0.8266725385   1.9834604587
H   -1.8617376663  -3.3713216993   1.9738012838
H    0.8863979125   2.7520314708   1.3049552324
H    2.1160603232  -0.9230176065  -0.5064114774
H    1.4922823923  -3.8689613111  -0.4113957443
H    2.8825401311   3.8664666479   0.4139598647
H    4.1252206295   0.1780723357  -1.3876105354
*