! 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   1.5601670413   2.1702754232   1.2526127939
Cl   5.6107912422  -0.9593734333  -0.2313751092
O   -1.0302056419  -0.9656790170  -0.7007178901
O   -0.7992339907   0.4225525101   1.0463463789
N   -2.0374804327   1.6627425428  -1.1462298309
N   -2.9477728257   1.0829431113  -1.9320877563
N   -3.9357359991   2.4825274103  -0.4898614707
C   -0.3336125569   0.1468373975  -0.2457465210
C   -1.6028559946  -1.6562101992   0.4066561206
C   -1.7966098471  -0.5200789843   1.4020118954
C   -2.8575348987  -2.3638853629  -0.0688202933
C   -0.6440637019   1.3103424228  -1.1999223113
C    1.1703989271  -0.1101180667  -0.2108169560
C   -3.4542604244  -3.3508301462   0.9303608985
C    2.0756543059   0.7347819699   0.4298827339
C    1.6918101732  -1.2201914026  -0.8669659654
C   -3.9994038606  -2.7388057394   2.2126726240
C    3.4393435398   0.4836717803   0.4268230194
C    3.0480351338  -1.4995536619  -0.8805151754
C   -2.6408206547   2.4882694604  -0.2865257555
C    3.9128447596  -0.6393460563  -0.2286510731
C   -4.0682725530   1.6064023547  -1.5063169499
H   -0.8843342588  -2.3893490987   0.7984182789
H   -2.7937852306  -0.0721381781   1.3227825674
H   -1.6347819455  -0.8236208922   2.4363173531
H   -2.6038178891  -2.9136374793  -0.9789100817
H   -3.6048664430  -1.6171204906  -0.3549437332
H   -0.3928462997   1.0302522789  -2.2221050589
H   -0.0541165892   2.1893100041  -0.9468371058
H   -2.7096480670  -4.1138093568   1.1759621804
H   -4.2654943699  -3.8787787895   0.4237510025
H    1.0244329793  -1.8941602185  -1.3851758827
H   -4.5237155963  -3.4906593726   2.8039919960
H   -3.2141399692  -2.3317775751   2.8507794841
H   -4.7099788369  -1.9366362915   2.0047774821
H    4.1186482009   1.1566656322   0.9312606899
H    3.4164105574  -2.3751230353  -1.3962532751
H   -2.1040735975   3.0673889923   0.4482045423
H   -5.0189064969   1.3520537921  -1.9487941355
*