! 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   1.6213899222   2.0000603853   1.7925456437
Cl   4.5806415280  -0.4057482348  -1.9268572535
O   -1.5239802332  -1.0135334978   0.6144698452
O   -0.6221512786   0.1129435382   2.3208176155
N   -1.5602022567   1.4292330013  -0.9462879987
N   -0.6737462306   2.1138845868  -1.6727227533
N   -2.1199839510   1.0456454441  -3.0059415520
C   -0.7264780493   0.0925790301   0.9336995855
C   -1.6289550185  -1.8746241636   1.7513036833
C   -0.6443598899  -1.2428299902   2.7313980575
C   -3.0560465015  -1.9032181243   2.2729969881
C   -1.4593102129   1.3643422760   0.4883742259
C    0.6363498783  -0.0378547714   0.2537750278
C   -4.1147692783  -2.2678767276   1.2379354632
C    1.7202455167   0.7808196683   0.5652846627
C    0.8177145671  -0.9692626896  -0.7631044690
C   -3.9434770791  -3.6510721656   0.6276028428
C    2.9347351014   0.6726882149  -0.0938812876
C    2.0175830034  -1.0977547077  -1.4424233449
C   -2.4129110631   0.7923020612  -1.7541165891
C    3.0702097378  -0.2703509099  -1.0974907819
C   -1.0481681419   1.8568245185  -2.8985850085
H   -1.3031658202  -2.8768277879   1.4601250468
H   -0.9724979746  -1.2873484148   3.7696037115
H    0.3509238650  -1.6955107738   2.6622225216
H   -3.2977529595  -0.9295669404   2.7117349632
H   -3.0874649219  -2.6263022497   3.0945715986
H   -0.9428310109   2.2591646434   0.8269355321
H   -2.4596102813   1.3675743209   0.9219149962
H   -4.1314389480  -1.5154128759   0.4458579587
H   -5.0930853265  -2.2098644340   1.7211821757
H   -0.0003677596  -1.6177601101  -1.0416926633
H   -4.7721961084  -3.8857047059  -0.0420320923
H   -3.0268107982  -3.7357438770   0.0418827590
H   -3.9165238319  -4.4260105657   1.3964416739
H    3.7595280660   1.3190062174   0.1724240514
H    2.1211977316  -1.8331090982  -2.2281092826
H   -3.2207707527   0.1765467058  -1.3923082391
H   -0.5337836364   2.2747101550  -3.7499930375
*