! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Br  -1.4419141828  -3.2361607373   1.2268207161
Cl   1.0418948308   1.8998419354   1.8116799998
Cl   5.6253850268   1.6042948946  -0.8914604092
O   -0.6194880545  -0.5134745909  -1.6697445072
N   -2.4947306276   1.4763156488  -0.5546056381
N   -3.3009465410   0.8573689162  -1.4207360082
N   -4.4625634533   1.5663158721   0.3587611551
C   -0.2845219276   0.3266670758  -0.5785958122
C   -0.6692877348  -0.4787455424   0.6922583332
C   -1.4856500643  -1.6301683078   0.1260362665
C   -1.0792898370   1.6263236108  -0.7824433619
C   -0.8435744795  -1.8359818700  -1.2304681221
C    1.2034353915   0.6642907419  -0.6260453644
C    1.8694462058   1.3607203880   0.3828498911
C    1.9641065666   0.2847966256  -1.7287835994
C    3.2216270384   1.6569944482   0.3124007768
C    3.3176346102   0.5612789591  -1.8258838511
C   -3.2016501056   1.8919709705   0.5015520071
C    3.9376685295   1.2482650587  -0.7984539792
C   -4.4676665072   0.9352327272  -0.8320667263
H   -1.2209825845   0.1000614924   1.4296688619
H    0.2280043618  -0.8585252382   1.1820424617
H   -2.5382462148  -1.3688704841   0.0154709613
H   -0.9234451637   1.9810643434  -1.8019125020
H   -0.7291035800   2.4086339181  -0.1125414360
H    0.0940659202  -2.3998977348  -1.1506903903
H   -1.4906766909  -2.3357097457  -1.9509412063
H    1.4921957943  -0.2468269065  -2.5422310440
H    3.7052381997   2.1942818890   1.1163817508
H    3.8733958980   0.2424446622  -2.6965676048
H   -2.7616657294   2.4256073120   1.3298697995
H   -5.3592763825   0.5260458880  -1.2812764660
*