! 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  -7.4924733406  -1.3051282054  -1.5400460888
F    3.2206660411  -1.7880462361  -0.9863171591
F    3.5360571636  -1.0515504549   1.0287641907
F    2.5220278699  -2.8907793041   0.6976046724
O    3.4316951610   0.8974000727  -0.7821826693
O   -2.0866599523  -2.1231243393   0.5576707101
N    3.6549089342   3.0698246720   1.0365464349
N    3.3504659771   4.3683073591   0.9629644388
N    5.5662598022   4.0775473463   0.8416743750
C    2.2632893783   1.4796163660  -0.2682617008
C    1.1487718568   0.4490237451  -0.0386813949
C    2.6324280957   2.0564268110   1.1107919527
C    1.8118638214   2.5936762057  -1.2189366869
C    1.3208941596  -0.9335548540   0.1643493478
C   -0.1580930656   0.9317643044   0.0175719346
C    0.2094790507  -1.7568664216   0.3284362733
C   -1.2630488158   0.1250320844   0.2137248397
C   -1.0736982718  -1.2385680632   0.3457811985
C    2.6562687590  -1.6437723960   0.2173919344
C    4.9781124151   2.9111341916   0.9573773152
C    4.5252841263   4.9333201694   0.8521611992
C   -3.3312520845  -1.8818443602   0.0428372025
C   -3.5174088248  -1.4895544457  -1.2764894555
C   -4.4194176484  -2.1054328532   0.8721358472
C   -4.8019787439  -1.3074900460  -1.7619689268
C   -5.7054677581  -1.9369066051   0.3829988815
C   -5.8878617497  -1.5313551167  -0.9292733468
H    1.7570004998   2.5051923997   1.5766553066
H    2.9818205431   1.2651913124   1.7719233593
H    1.3782408712   2.1733374759  -2.1283669968
H    1.0815575887   3.2722846744  -0.7834056224
H    2.6709199648   3.1980863153  -1.5101904751
H   -0.3419645256   1.9904638225  -0.0944890386
H    0.3197530038  -2.8241390755   0.4571289885
H    3.3392161266   0.7980402434  -1.7361145154
H   -2.2480343737   0.5709032995   0.2574690744
H    5.4603804221   1.9475294112   0.9974676236
H    4.6370212445   6.0039151728   0.7752907568
H   -2.6740082278  -1.3279301306  -1.9357324608
H   -4.2660181344  -2.4170396065   1.8972881026
H   -4.9477968724  -0.9995389658  -2.7883982640
H   -6.5541235449  -2.1145733037   1.0294520763
*