! 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   1.1710749381   0.3644160535  -2.1628575493
Cl   4.2586408714  -3.6062079602  -0.4040251363
O   -1.2684288346   0.1846563391  -0.5347468372
O   -1.1568871630  -0.3130136548   1.6385767049
N   -0.8998359503   2.5194218296   0.9270728002
N   -1.6507644440   2.7318911211   2.0098480595
N   -2.3315340247   4.0294165330   0.3155471484
C   -0.4013265899   0.1319647598   0.5576595604
C   -2.4513538362  -0.5640745400  -0.2505190231
C   -2.1407928448  -1.1838723620   1.1097965076
C    0.1391085002   1.5285125646   0.8915814473
C    0.7726718953  -0.8087835881   0.2784156211
C   -3.6727322953   0.3365793334  -0.2419248813
C   -3.9192568393   1.0446836442  -1.5636615430
C    1.5173645377  -0.7700769507  -0.8998066402
C    1.1588958337  -1.7339428402   1.2433290447
C    2.5893541929  -1.6226176418  -1.1165902867
C    2.2194964261  -2.6031638612   1.0507434309
C   -1.3224092390   3.2915503104  -0.0769619735
C    2.9267942673  -2.5388533788  -0.1360613263
C   -2.4917029552   3.6468005352   1.5986522420
H   -2.5656185427  -1.3372000880  -1.0166603436
H   -2.9936262453  -1.1962362917   1.7883086422
H   -1.7590404144  -2.2061816495   1.0151888890
H    0.8757607857   1.8411071731   0.1543175826
H    0.6408604003   1.5029434077   1.8581839752
H   -3.5844217642   1.0635063808   0.5710673318
H   -4.5363150261  -0.2899777797  -0.0002137085
H   -3.0757733095   1.6699251752  -1.8549675477
H   -4.0977695100   0.3295465004  -2.3695629676
H   -4.7961545320   1.6896759630  -1.4990517801
H    0.6196013082  -1.7828749103   2.1791951144
H    3.1494460238  -1.5700903702  -2.0399087291
H    2.4862276467  -3.3137314426   1.8206433463
H   -0.8652600225   3.2880925826  -1.0538870340
H   -3.2469791096   4.0594797247   2.2495732560
*