! 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   0.3781708099  -1.0135607838   2.4330383843
Cl   0.4814484834  -5.2614522985  -0.7746840430
O   -0.5427845835   1.2096477886   0.7302916867
O    0.0936250501   1.3282757335  -1.4146974070
N    1.8494328455   2.6819047785   0.3494918678
N    1.6523691532   3.3199682542   1.5060827406
N    1.8569773702   4.7906002683  -0.1772212058
C    0.4145133736   0.7564146671  -0.1731669993
C   -1.7212757337   1.5444676652   0.0063229706
C   -1.1360318536   2.0341646515  -1.3115166016
C   -2.6836038581   0.3725592040  -0.1292585417
C    1.8040571037   1.2474042762   0.2491283468
C    0.4336236765  -0.7668757105  -0.2936567837
C   -4.0540804332   0.8099071500  -0.6322234814
C    0.4101818446  -1.6166572585   0.8105204683
C    0.5034433269  -1.3602593937  -1.5508128636
C   -5.0095756546  -0.3621201394  -0.7913234929
C    0.4201694646  -2.9969189468   0.6722869342
C    0.5228074661  -2.7341703782  -1.7182979877
C    1.9566943416   3.5691421219  -0.6409221831
C    0.4718847325  -3.5431411513  -0.5972861508
C    1.6724791310   4.5735087315   1.1387045218
H   -2.2084696124   2.3555723314   0.5520497512
H   -1.7580844134   1.8005634123  -2.1768415744
H   -0.9492535911   3.1117359989  -1.3000788519
H   -2.7916778861  -0.1048929803   0.8487450413
H   -2.2737696950  -0.3852054083  -0.8047972483
H    2.5361714198   0.9208198787  -0.4889269995
H    2.0966828851   0.8295349900   1.2095717523
H   -3.9558373204   1.3256196279  -1.5920985314
H   -4.4792318269   1.5398308657   0.0626379516
H    0.5370697346  -0.7381723337  -2.4331548962
H   -5.9894709619  -0.0324238417  -1.1378726058
H   -4.6310404782  -1.0861782517  -1.5149761776
H   -5.1542485548  -0.8874956494   0.1543487267
H    0.3886045803  -3.6319505007   1.5464831749
H    0.5724117114  -3.1595407840  -2.7105775005
H    2.1305197684   3.2891405202  -1.6671646368
H    1.5509652917   5.3712935386   1.8544127843
*