! 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  -2.5860035668   1.3077267916   1.6413116269
F    5.0429117272  -1.4288525909  -1.6156723118
O    0.2751987655   0.4792274370   1.9605212752
N   -2.6465394347  -2.1727157855  -0.6748549756
N   -1.8341971456  -3.0550849975   1.3534319008
C    0.0940743556   0.1063145196   0.6156206187
C    1.4257528755  -0.3379262550   0.0066583970
C   -0.4471513095   1.3615801786  -0.0717176499
C   -0.9130628601  -1.0339606792   0.4960153525
C    2.6192895386   0.1522808815   0.5313157878
C    1.4871792110  -1.1941609314  -1.0893791210
C   -1.6342919023   1.9683787842   0.3515502700
C    0.2251098672   1.9594429755  -1.1331568457
C   -1.7923355064  -1.1634802570  -0.5694218300
C   -0.9836707890  -2.0436161952   1.4456488705
C    3.8438967454  -0.2136778781  -0.0065528964
C    2.7013849111  -1.5616047324  -1.6475351812
C   -2.1219940047   3.1145417450  -0.2564623534
C   -0.2522250741   3.1066660188  -1.7502053440
C    3.8635219055  -1.0677820976  -1.0900532470
C   -1.4279257509   3.6875831975  -1.3100052033
C   -2.6295234002  -3.0688868042   0.2960026398
H    2.6133308901   0.8377124270   1.3676879245
H    0.5863809735  -1.5931297633  -1.5353255774
H    1.1454855517   1.5254408355  -1.4965882487
H    0.7839924155  -0.1951521518   2.4225970812
H   -1.8192513727  -0.4292033702  -1.3678822105
H   -0.3411156543  -2.0515284379   2.3192795727
H    4.7658364910   0.1652572581   0.4142146443
H    2.7366315269  -2.2276991838  -2.4993399434
H   -3.0436153154   3.5588826433   0.0936831889
H    0.3009482633   3.5392803008  -2.5727191165
H   -1.8130826374   4.5823944706  -1.7801356574
H   -3.3255602750  -3.8952752950   0.2166549930
*