! 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  -4.7480366626   1.0267464725  -2.7348270276
O    2.5042601245   1.5914551048   0.2599875003
O    1.8206469790  -2.4800921716  -1.3459749223
N    2.3180841961  -0.6136758248  -0.1573072122
N    0.9434267451  -2.3012085467   0.7381053042
N    0.4068904273  -3.3269490519   2.6087658551
C    2.0169205924   0.4281670885   0.8799397923
C    3.1994303096  -0.0510910247  -1.2101034475
C    3.6265944791   1.2342114325  -0.5076767249
C    0.5186767687   0.6211207924   1.1117973772
C    2.7805320380   0.1771333477   2.1771797809
C    4.4090671027  -0.9220102442  -1.5113794934
C    2.4174506269   0.2860394554  -2.4786469631
C    0.1497000980   1.9504307616   1.7633795508
C    1.7326350394  -1.8006972899  -0.3454685479
C   -1.3375951992   2.0000617281   2.1333552798
C   -2.2360247061   1.7699742396   0.9507994468
C   -0.3989289812  -2.5791690037   0.6556282320
C    1.3799297268  -2.7947563158   1.9273708645
C   -2.4142867584   2.7648598446  -0.0082904537
C   -2.8620824452   0.5437539546   0.7460735126
C   -0.7103329304  -3.1905126809   1.8301516505
C   -3.1845999458   2.5479405375  -1.1400893176
C   -3.6368326158   0.3053532612  -0.3803947542
C   -3.7886431400   1.3128021541  -1.3182525747
H    4.5151844345   1.0761092682   0.1168600840
H    3.8470099147   2.0389870839  -1.2088571935
H    0.1446628338  -0.1842009533   1.7450610738
H    0.0025546774   0.5351819203   0.1521757726
H    3.8173834007  -0.1071955194   1.9970582298
H    2.3205620200  -0.6037042947   2.7776089456
H    2.7841426103   1.0841239431   2.7820305199
H    4.1581114986  -1.7960282444  -2.1078916576
H    4.8975658111  -1.2563761829  -0.5950661588
H    5.1365948560  -0.3369802138  -2.0774578303
H    1.5817124790   0.9547288695  -2.2662808921
H    3.0747403475   0.7924311119  -3.1874414210
H    2.0280331968  -0.6024305288  -2.9704435959
H    0.7277459011   2.1102187873   2.6769294534
H    0.3834012053   2.7811825093   1.0946719830
H   -1.5532570798   2.9736956410   2.5799195139
H   -1.5437165767   1.2522934542   2.9032766402
H   -0.9951931468  -2.2973999758  -0.1959441114
H    2.4181110011  -2.7611662020   2.2181877020
H   -1.9441375709   3.7323727644   0.1242885241
H   -2.7441339957  -0.2499637918   1.4742015077
H   -1.6785120722  -3.5381739877   2.1551027962
H   -3.3108608278   3.3346056621  -1.8718689548
H   -4.1126619319  -0.6561525915  -0.5201308303
*