! 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  -4.5189765879   1.9682751398  -0.5725268344
F   -0.1632091061  -1.6480725658   1.7215589400
F   -2.2624915499  -2.0815141592   1.6613187268
F   -0.9799404153  -2.7966655080   0.0968094192
O    1.4153006062   1.9597130044   0.4208083076
N    2.9709279670  -1.0483484867  -0.9599541932
N    0.7631234188  -0.6322388537  -0.7530220601
N    4.9867471198  -1.8236157759  -1.4116263148
C    1.9276945414  -0.1597985246  -0.6676701168
C    2.3634383474   1.2480303202  -0.2994690433
C    1.4208650220   1.6933335529   1.8141108835
C   -0.4346004377   0.0489228092  -0.6637143032
C    0.5561762154   2.7124026805   2.5237857440
C   -1.4630139939  -0.4935618778   0.1187239626
C   -0.7191422993   1.1649646229  -1.4512581958
C   -2.7160268253   0.1031947119   0.1537991118
C    2.8199207288  -2.3862047169  -1.2639432334
C   -0.9170478608   2.6445565200   2.1530286837
C    4.3082443802  -0.7740207136  -1.0705031747
C   -1.2150681569  -1.7496696100   0.8975751664
C   -1.9690809552   1.7502008010  -1.4341093574
C   -2.9583157043   1.2236370761  -0.6184531235
C    4.0686360685  -2.8386945560  -1.5301570187
H    2.5727307675   1.7917173561  -1.2267138222
H    3.3084112863   1.1953652889   0.2533099726
H    2.4482692571   1.7498731337   2.1971695822
H    1.0573954761   0.6791006765   2.0204321627
H    0.6735040704   2.5386494846   3.5965400794
H    0.9509023209   3.7144690372   2.3325517916
H    0.0426609932   1.5695892229  -2.1040646323
H   -3.5069041807  -0.3011867147   0.7694937020
H    1.8608486601  -2.8725616340  -1.2474283952
H   -1.3362298224   1.6631935074   2.3804490035
H   -1.4930340099   3.3830241723   2.7124861222
H   -1.0808394641   2.8368338474   1.0931072535
H    4.7258066159   0.2054630497  -0.9033606944
H   -2.1661494792   2.6159480650  -2.0518434514
H    4.3648299713  -3.8404516834  -1.7987453977
*