! 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   0.7694156811   2.1488162887   1.0926905821
Cl   5.0312358307  -0.0902650774  -1.1529129278
O   -1.1770503412  -1.8461445796   0.3288499793
O   -1.2567706809   0.1187978634   1.3822551456
N   -1.4763117562   1.4432698096  -1.2391640269
N   -0.5239619340   1.8505120759  -2.0802382940
N   -1.6228754515   3.6076132494  -1.2291036873
C   -0.8547449521  -0.4868820624   0.2011157650
C   -1.4271169932  -2.1502371211   1.7038212307
C   -1.0541864134  -0.8443891273   2.4004888992
C   -2.8760716031  -2.5558445762   1.9032308429
C   -1.6961789575   0.0497449705  -0.9609613415
C    0.6446696332  -0.3378791946  -0.0710690680
C   -3.3036805430  -3.7578225230   1.0714111527
C    1.4152886243   0.7727217088   0.2670368800
C    1.2838371359  -1.3609364680  -0.7687653721
C   -4.7591533511  -4.1311098877   1.3047219333
C    2.7647613666   0.8489123778  -0.0534831737
C    2.6213370108  -1.3048930197  -1.1137231986
C   -2.1202190743   2.5001432638  -0.7360060061
C    3.3551481956  -0.1914105529  -0.7441674231
C   -0.6482393822   3.1524239261  -2.0420182169
H   -0.7629366814  -2.9652533495   2.0065667885
H   -1.6971925110  -0.5998185171   3.2457553643
H   -0.0140560779  -0.8476495409   2.7460616907
H   -3.5282203506  -1.7011858434   1.6891039469
H   -3.0097596623  -2.7855065245   2.9655772802
H   -2.7503227009  -0.0930040669  -0.7209258190
H   -1.4775450641  -0.5158563193  -1.8651410640
H   -2.6628348448  -4.6121667419   1.3105643210
H   -3.1519513223  -3.5476753124   0.0102228018
H    0.7219588308  -2.2373493108  -1.0600818059
H   -5.4280165987  -3.3154040194   1.0230701644
H   -5.0453030851  -5.0049374824   0.7173709051
H   -4.9513222564  -4.3646844466   2.3537455606
H    3.3410919185   1.7186046764   0.2305302226
H    3.0772243861  -2.1187350299  -1.6594444437
H   -2.9344791968   2.4127413275  -0.0337812549
H   -0.0165645204   3.8004264386  -2.6293257777
*