! 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 "WATER"
end
*xyz 0 1
Cl  -5.3076757123  -0.8987431696  -0.1350222135
O    3.1209729018   1.5724538913   0.6162570583
O    2.2157800288  -1.9735612950  -1.8831370373
N    2.5711300330  -0.4360591437  -0.2503586948
N    0.5980208959  -1.7084074227  -0.3133694023
N   -0.8769767317  -2.6551278964   1.0183647534
C    2.0747731910   0.6315874358   0.6832452063
C    3.9718401381  -0.1598545363  -0.6498253996
C    4.3231946924   0.8641181694   0.4238663849
C    0.8103958491   1.3064039381   0.1611804894
C    1.9276988613   0.1340278955   2.1194679273
C    4.8746201855  -1.3788888840  -0.5422289496
C    4.0568779537   0.4789543861  -2.0347007311
C    0.3603775541   2.5139413551   0.9757851102
C    1.8625031780  -1.3731874919  -0.8872526736
C   -0.8905097983   3.1624131358   0.3720188941
C   -2.0341686010   2.1954593083   0.2373114819
C   -0.6140924576  -1.6262070623  -0.9576839157
C    0.3795148095  -2.3503354611   0.8646662989
C   -2.4392284134   1.7281507066  -1.0089603025
C   -2.6797016051   1.6964479502   1.3670320822
C   -1.5086097314  -2.1924560414  -0.1063316033
C   -3.4515489446   0.7876660276  -1.1359502983
C   -3.6888859404   0.7523883071   1.2629529482
C   -4.0643873446   0.3047751000   0.0062779052
H    4.6579411204   0.3766123661   1.3475267100
H    5.0989118677   1.5584701034   0.1051266902
H   -0.0053071326   0.5856513972   0.1572228178
H    0.9765193742   1.6024259147  -0.8795661153
H    0.9813757193  -0.3757732636   2.2845548531
H    1.9569908462   0.9834635152   2.8011669262
H    2.7311573766  -0.5453444924   2.4023954378
H    4.7081398018  -2.0935753043  -1.3448342492
H    4.7440098426  -1.8904403557   0.4120333973
H    5.9146816989  -1.0550198818  -0.6037275561
H    3.4474572201   1.3809429305  -2.0984007250
H    5.0903887859   0.7594014386  -2.2411006542
H    3.7385764574  -0.2048273124  -2.8180532310
H    0.1419832252   2.2138142386   2.0036925381
H    1.1491119575   3.2663351194   1.0285662999
H   -0.6465337964   3.5773154367  -0.6085391897
H   -1.1857154187   4.0037530597   1.0033064121
H   -0.7261023695  -1.1507115535  -1.9172736051
H    1.1792894469  -2.6039938946   1.5418474146
H   -1.9533352108   2.0972256157  -1.9039256484
H   -2.3905285954   2.0431405225   2.3521616346
H   -2.5731764499  -2.2914183505  -0.2415562775
H   -3.7477375218   0.4338807675  -2.1141003494
H   -4.1758987182   0.3738332551   2.1513909325
*