! 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   0.6743621824  -1.3111241434  -2.3056972940
Cl   4.8908889572   0.8386370591   0.1414740607
O   -1.4442278877  -1.4687343550  -0.2396107199
O   -1.6170049991   0.1186988655   1.3029170462
N   -1.2689079549   2.1148486671  -0.8775348395
N   -0.2834352187   2.5587418940  -1.6604861106
N   -0.8712306770   4.1278576841  -0.1768844783
C   -1.0750739951  -0.1579745551   0.0473624163
C   -1.5906609744  -2.1874411568   0.9836430245
C   -1.5308786362  -1.0830836562   2.0514409562
C   -2.8918630892  -2.9667075269   0.9550818797
C   -1.7450817233   0.7603449703  -0.9805929123
C    0.4423368623   0.0323422472   0.0642798531
C   -3.0363119645  -3.9061299089   2.1462610386
C    1.2833166918  -0.4330075886  -0.9437165368
C    1.0285057617   0.7692572129   1.0889893175
C   -4.3410296494  -4.6866007677   2.1127730481
C    2.6492587857  -0.1950213865  -0.9262986992
C    2.3882835788   1.0245491332   1.1324164863
C   -1.6052545801   3.0573758463   0.0076407434
C    3.1897897327   0.5341412854   0.1178065945
C   -0.0805000594   3.7683467644  -1.2078452646
H   -0.7481640092  -2.8780190378   1.1006562422
H   -2.3686179657  -1.1074422171   2.7494661439
H   -0.6031075662  -1.1282590938   2.6295064652
H   -2.9334871180  -3.5512409004   0.0310396160
H   -3.7332309014  -2.2657747157   0.9255084427
H   -2.8243963152   0.7399175300  -0.8275958835
H   -1.5416975245   0.4146784264  -1.9913598682
H   -2.9803462456  -3.3406804599   3.0816442245
H   -2.1932951471  -4.6033254846   2.1631293045
H    0.4106098674   1.1670769340   1.8818363311
H   -4.4167024178  -5.2962225165   1.2102381875
H   -4.4254393504  -5.3566432879   2.9693340801
H   -5.2050633800  -4.0194860982   2.1318550062
H    3.2782145155  -0.5700600065  -1.7216023958
H    2.8071425822   1.6004473532   1.9458334960
H   -2.3803337529   2.9244454910   0.7459395278
H    0.6631640522   4.4198530202  -1.6398796024
*