! 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  -4.6690451335  -0.3607743261  -0.0452850829
O    1.8567851374  -1.3047325042  -1.1417485694
N    2.8861841881  -0.4000543686  -0.7845734558
N    0.3166020918   2.7488027414  -1.1900456123
C    2.4600947726   0.1288325690   0.5154364491
C    1.8913503261  -1.1243225340   1.1923726651
C    1.1842152225  -1.7991074133   0.0200526152
C    1.3702651484   1.1685820498   0.2799537611
C    3.6015439662   0.7709727001   1.2922852749
C   -0.2912817686  -1.4698604143  -0.0533384123
C    4.1461964283  -1.1192488187  -0.7985972539
C    0.4451046065   1.4863476841   1.2673649516
C    1.2618184329   1.8541933999  -0.9250978163
C   -1.1195569214  -1.8427372713   1.0012882235
C   -0.8510346337  -0.7831546674  -1.1237495364
C   -0.5496485633   2.4102803662   1.0016340172
C   -2.4647493635  -1.5111631208   1.0126262315
C   -2.1951632362  -0.4410606979  -1.1277842801
C   -0.5797091447   3.0069502164  -0.2479072153
C   -2.9908197220  -0.8009683245  -0.0545191460
H    2.7057983374  -1.7453899183   1.5697846019
H    1.2319736981  -0.9249489145   2.0337299293
H    1.3059559000  -2.8869937411   0.0635503972
H    4.0679353855   1.5740044937   0.7197147990
H    4.3700410506   0.0504510203   1.5723706358
H    3.2150851368   1.2085916830   2.2127975277
H    4.9614260539  -0.4138944586  -0.6430527597
H    4.2850011471  -1.5497432488  -1.7895590024
H    4.2370910997  -1.9256918894  -0.0603531945
H    0.4780858793   1.0104091277   2.2394728411
H    1.9697347316   1.6582828210  -1.7210176103
H   -0.7151926466  -2.3920307084   1.8438760640
H   -0.2412734599  -0.4874436833  -1.9650725829
H   -1.2933021900   2.6587426003   1.7465390635
H   -3.0899220015  -1.7995447182   1.8469101242
H   -2.6099243183   0.1071145545  -1.9630484889
H   -1.3528352261   3.7266888651  -0.4938775421
*