! 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  -5.4335867151   3.2372080551   1.8630477621
O    1.9025546057   1.2538957324   0.8818949193
O    3.3295343069  -1.9582400069  -1.8164542939
N    2.5949022657  -0.6311023497  -0.1291300896
N    1.5430754414  -2.6758524150  -0.6162451754
N    0.5278399524  -4.3919248692   0.3136890348
C    1.5351583904  -0.0995704206   0.7832720911
C    3.6935166742   0.3551249302  -0.2763017734
C    3.3064235108   1.3189731612   0.8429372327
C    0.1166441262  -0.1431400806   0.2216225594
C    1.5808985440  -0.7433123530   2.1683514225
C    5.0671890455  -0.2443203525  -0.0160062119
C    3.6429297626   1.0713964120  -1.6246479618
C   -0.0731536004   0.4638903651  -1.1604654848
C    2.5654899411  -1.7188944814  -0.9054754625
C   -1.5137615526   0.3204760857  -1.6607972049
C   -2.5133837329   1.0378127847  -0.7972625565
C    0.5788110678  -3.0839137286  -1.5056682030
C    1.4802722653  -3.5162580211   0.4513656267
C   -3.3271176815   0.3479375409   0.0964993937
C   -2.6240726627   2.4261155749  -0.8476469566
C   -0.0493118801  -4.1265607782  -0.8987493066
C   -4.2260388545   1.0131299772   0.9186063121
C   -3.5158945144   3.1096874630  -0.0361778014
C   -4.3120759662   2.3932051701   0.8445592441
H    3.7522396753   1.0227732073   1.8003878700
H    3.6094917018   2.3446168687   0.6346977236
H   -0.5029472609   0.3939500358   0.9457083978
H   -0.2540247404  -1.1692572738   0.2361010818
H    2.5974028429  -0.8598164363   2.5445501012
H    1.1061146110  -1.7212446385   2.1814197103
H    1.0292750755  -0.1152923008   2.8686719954
H    5.7884000495   0.5631259702   0.1255155932
H    5.4202185090  -0.8552683547  -0.8442227194
H    5.0721045128  -0.8531258629   0.8890794801
H    4.4176127186   1.8392933772  -1.6554554846
H    3.8208375316   0.3929583249  -2.4564574393
H    2.6830139434   1.5640707651  -1.7829288662
H    0.2053428157   1.5201723272  -1.1505874787
H    0.5815228100  -0.0152406794  -1.8931133167
H   -1.7725895331  -0.7402472640  -1.7182563965
H   -1.5678389431   0.7070177256  -2.6812141951
H    0.4226279105  -2.5990094497  -2.4548264665
H    2.1755942670  -3.4568942875   1.2738919490
H   -3.2655015142  -0.7321956884   0.1573450293
H   -2.0065085901   2.9913228769  -1.5361316776
H   -0.8849950787  -4.6996760144  -1.2691021394
H   -4.8499767915   0.4571993642   1.6056111692
H   -3.5899837201   4.1874865904  -0.0936661756
*