! 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  -4.7425121751   1.8221452913  -0.3593639447
F   -1.0352071376  -2.9766380733  -0.1410391946
F   -0.4078461216  -1.8707351597   1.5937742171
F   -2.4608965135  -2.4655355626   1.3802231324
O    2.3976968412   1.6669684644   0.4098410601
N    2.7588800957  -1.0609288869  -0.5962736128
N    0.5410212846  -0.7288353187  -0.9583967732
N    4.1266603750  -2.4823293501  -1.5808642999
C    1.5615392810  -0.4129758025  -0.2870276141
C    1.6136338174   0.5888827924   0.8377620298
C    2.6732045472   2.6117568961   1.4309055705
C   -0.6917433972  -0.1152107915  -0.7676466845
C    1.4611304087   3.4049207941   1.8882854253
C   -1.6949004922  -0.7203897382  -0.0022058933
C   -0.9710010491   1.0876682734  -1.4108708099
C   -2.9403973753  -0.1203106334   0.1230625167
C    4.0051737541  -0.8628567972  -0.0335292541
C    0.7371916073   4.1189516606   0.7580515506
C    2.9056459579  -2.0539176629  -1.5274880965
C   -1.4048937509  -2.0093451132   0.7035482519
C   -2.2113629771   1.6877867594  -1.2892254520
C   -3.1889591016   1.0794648710  -0.5196266893
C    4.8246995131  -1.7441131436  -0.6554018182
H    2.0299236495   0.1067949529   1.7341514235
H    0.5926300279   0.8908959698   1.0898773045
H    3.4189114675   3.2871924741   1.0062689043
H    3.1394087921   2.1123588042   2.2913871755
H    0.7633924303   2.7654589056   2.4368368856
H    1.8227387567   4.1354510985   2.6173524353
H   -0.2095630262   1.5518834085  -2.0234012236
H   -3.7180199917  -0.5763110045   0.7196316056
H    4.2047300156  -0.1349319850   0.7318528146
H    0.2980524773   3.4196505143   0.0445795105
H   -0.0757390180   4.7356101264   1.1442763021
H    1.4121362000   4.7745637005   0.2034718232
H    2.0752710961  -2.4101871797  -2.1147115598
H   -2.4059967257   2.6248430970  -1.7928708697
H    5.8803912375  -1.8898428907  -0.4891478101
*