! 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  -5.6779490865   0.0330028756   0.2996041487
O    1.9037865806  -2.4173887653  -0.7864490518
O    0.0227348155  -0.5743261527  -0.9092710602
N    1.2643231709   1.0868661391   0.1388385721
N    1.1709897159   1.7088447672   1.3202006422
N    1.7133429218   3.1660996441  -0.2970761654
C    3.5591748391  -1.0893312593   0.3050294234
C    2.2875599089  -1.0800048733  -0.5734827084
C    1.0629641423  -0.3394073411   0.0048168887
C    3.2933605975  -1.6918018365   1.6849317388
C    4.6102424580  -1.9384054039  -0.4210357852
C    4.1514154682   0.3132432408   0.4715006055
C    1.5870600227   1.9682874305  -0.8113536299
C   -1.2765954609  -0.4049092205  -0.5469239289
C    1.4524065966   2.9464560531   1.0070401572
C   -1.7013186503   0.0634659009   0.6900304881
C   -2.2149711213  -0.7385131795  -1.5202498759
C   -3.0604012397   0.1944267127   0.9473709375
C   -3.5666731610  -0.6068887925  -1.2630992221
C   -3.9840718720  -0.1386523153  -0.0255020843
H    2.5492439159  -0.5971586248  -1.5279292538
H    0.8198443575  -0.7197079803   1.0003961605
H    2.6031201861  -1.0888503291   2.2791996146
H    2.8900673369  -2.7030884167   1.6250536053
H    4.2256209349  -1.7480032730   2.2505733778
H    4.3206333480  -2.9840591996  -0.5094624106
H    5.5533214462  -1.9056255634   0.1277682247
H    4.8059997792  -1.5553654899  -1.4258888056
H    5.1496117171   0.2318114664   0.9054968832
H    3.5780043746   0.9489360233   1.1438698159
H    4.2617392114   0.8292190571  -0.4848777306
H    1.2360258232  -2.4419170459  -1.4801500586
H    1.7132369744   1.7081258947  -1.8501138803
H    1.4625773645   3.7268209553   1.7513031912
H   -1.0105727368   0.3443317294   1.4721366752
H   -1.8858085094  -1.1053727214  -2.4836025716
H   -3.3803950925   0.5622740838   1.9123719900
H   -4.2849278673  -0.8705273135  -2.0271355327
*