! 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   0.8543935172  -1.0576809539  -2.1339699852
Cl   5.6698370697  -0.5480706983   0.0891276087
O   -1.0360862598  -0.6481936115   0.0516510723
O   -0.6432052942   0.8270433860   1.6762948858
N   -2.0622565923   1.8931971497  -0.5647905654
N   -2.6483982185   2.6964948569   0.3253869605
N   -4.1808320205   1.7524960767  -1.0069486195
C   -0.2850842279   0.4790235774   0.3772026955
C   -1.5222268642  -1.2673784767   1.2414091143
C   -0.9545120548  -0.3789397135   2.3499897626
C   -3.0388526176  -1.3225648656   1.2241090420
C   -0.6472903037   1.6440372664  -0.5494725485
C    1.2144461883   0.1956700141   0.2736054990
C   -3.6370424383  -2.0875553281   0.0481173810
C    1.7941675995  -0.4838246259  -0.7968412847
C    2.0687656743   0.6614736000   1.2684837947
C   -3.2878454401  -3.5682975389   0.0332214641
C    3.1600002835  -0.7181149165  -0.8603029327
C    3.4353662374   0.4432056749   1.2306804399
C   -2.9874733407   1.3299126707  -1.3455004284
C    3.9687427808  -0.2553427467   0.1625251294
C   -3.9152048663   2.5861841802   0.0192160906
H   -1.1034587968  -2.2756373286   1.3101877961
H   -1.6734277506  -0.1587987270   3.1392981704
H   -0.0629846198  -0.8196770873   2.8085512672
H   -3.4329314928  -0.3011834926   1.2406110255
H   -3.3618643300  -1.7902444155   2.1602362913
H   -0.3202870207   1.4354361714  -1.5667146208
H   -0.1358350595   2.5485325065  -0.2227846569
H   -3.3242553772  -1.6269059036  -0.8908661929
H   -4.7230144839  -1.9766791722   0.0871010365
H    1.6609806919   1.2130203602   2.1043687950
H   -3.5775808469  -4.0561770870   0.9657090969
H   -3.8042773511  -4.0838500670  -0.7777445368
H   -2.2203302861  -3.7402259966  -0.1097724409
H    3.5826982010  -1.2539906779  -1.6989650137
H    4.0672578575   0.8145578581   2.0253899025
H   -2.7460868614   0.6394946726  -2.1378954772
H   -4.6791427888   3.1294089191   0.5536754169
*