! 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  -3.2182445816   3.4021715327  -3.1687495150
O    1.6789772538   1.1660604521   0.7667475457
O    2.3298373054  -2.6605450207  -1.3584682433
N    1.6194370452  -0.8772852655  -0.1525729529
N    1.6748182197  -3.0360042088   0.7819245969
N    2.1469561070  -4.5449018079   2.3114137564
C    1.3129188386  -0.1453917545   1.1154108645
C    1.7455700032   0.0816315600  -1.2785221732
C    1.3035314343   1.3655931327  -0.5728792268
C   -0.1897387150  -0.2221497615   1.4213318326
C    2.1719712913  -0.5337263925   2.3046477832
C    3.1955659244   0.2235323569  -1.7375691809
C    0.8154310842  -0.2373692896  -2.4393261127
C   -0.6821515128   0.8132310057   2.4298926663
C    1.9028680514  -2.1695590730  -0.3352396691
C   -2.1866784275   1.0809529759   2.2928590536
C   -2.5208786954   1.6737917963   0.9520190345
C    0.4704303503  -3.5014784283   1.2504798978
C    2.6482008202  -3.7188996943   1.4396866025
C   -3.1161212742   0.9155121290  -0.0518885022
C   -2.1613958604   2.9870620434   0.6532785697
C    0.7891784224  -4.4258492234   2.1975844230
C   -3.3368566865   1.4364020965  -1.3196251262
C   -2.3759018870   3.5276248576  -0.6044432109
C   -2.9591476928   2.7411722354  -1.5862171966
H    1.8153203856   2.2480217800  -0.9560880950
H    0.2231822745   1.5353162291  -0.6724845657
H   -0.4288083269  -1.2183004789   1.7922112866
H   -0.7380253198  -0.1165769900   0.4826995914
H    2.1054725957   0.2561571678   3.0536702823
H    3.2211307218  -0.6365616490   2.0269039082
H    1.8359997865  -1.4501214947   2.7830499101
H    3.5859204213  -0.6972497996  -2.1638334132
H    3.8440146824   0.5232271176  -0.9127845050
H    3.2579266333   0.9947880692  -2.5065687916
H    1.1398831032  -1.1045321683  -3.0092945695
H   -0.2048335993  -0.4123649470  -2.0960241050
H    0.7905971993   0.6129835081  -3.1216812549
H   -0.4738999297   0.4777836279   3.4486024918
H   -0.1507158944   1.7586657030   2.3024624725
H   -2.4946096403   1.7636067442   3.0885068190
H   -2.7470362814   0.1546942768   2.4422944993
H   -0.4750355125  -3.1791756508   0.8492345271
H    3.6966589555  -3.5465712311   1.2504500940
H   -3.4102496775  -0.1077669823   0.1493469813
H   -1.6992699214   3.6057829020   1.4137783085
H    0.1112962134  -5.0167598949   2.7934594269
H   -3.7953214971   0.8262754620  -2.0863543815
H   -2.0876105222   4.5488503635  -0.8150913900
*