! 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   2.8874374458  -0.4482300522  -2.4397904966
O   -3.3021550095   1.4798929715   1.2638407184
O    0.5531302713  -0.4493796612   1.6488510681
N    0.2478222212  -0.5190208928  -0.5844000224
N    4.4676419563   0.2950140674  -0.4645798974
N    4.5416138438   0.5472823574   0.8448644681
C   -4.2507727631   0.5231399014   0.7947392247
C   -3.4137677126  -0.4578806272   0.0213069414
C   -1.9623783803   1.1722759006   0.8932330400
C   -2.0802811012  -0.0957493503   0.0968300320
C   -5.2698994254   1.2263075571  -0.0936455196
C   -4.9325858104  -0.1391624210   1.9865855107
C   -1.1206205621  -0.8539721451  -0.5661959664
C   -3.8338172895  -1.5571258609  -0.7065411489
C   -1.3584515422   2.3341921308   0.1231704487
C   -1.5356867995  -1.9617719102  -1.3024199954
C   -2.8771373048  -2.3072101771  -1.3770695836
C    1.0150495491  -0.3589482682   0.5224738422
C    2.4361590130  -0.0499479661   0.3150939855
C    3.3386354958   0.3443433157   1.3372242309
C    3.2325656795  -0.0599806505  -0.8184043941
C    3.0833557321   0.5512668873   2.7868692218
C    5.6321515446   0.4065973212  -1.3119917564
H   -1.3761068552   1.0050359046   1.8027490728
H   -4.7873497288   1.7069251334  -0.9460052907
H   -5.8113526920   1.9905775407   0.4671530626
H   -6.0056193253   0.5197697376  -0.4805231418
H   -4.2075628468  -0.6392794620   2.6305855128
H   -5.6561115964  -0.8859441922   1.6555381688
H   -5.4705415049   0.5979181203   2.5860082851
H   -4.8808708666  -1.8279928919  -0.7654342701
H   -1.8920453595   2.5136799436  -0.8115693424
H   -1.3949307553   3.2463726363   0.7204105242
H   -0.3119315268   2.1474194598  -0.1171921398
H   -0.7963383072  -2.5604358894  -1.8204274273
H   -3.1722311576  -3.1716786457  -1.9571181437
H    0.6923516677  -0.5540030350  -1.4875864106
H    2.2988815895   1.2884114736   2.9555870981
H    2.7705138986  -0.3701308846   3.2761702235
H    3.9928712548   0.9037358035   3.2713643173
H    6.4613216941   0.7293709394  -0.6912003059
H    5.8800739003  -0.5538527440  -1.7603206488
H    5.4723206611   1.1426588213  -2.0976732092
*