! 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   0.5472595490  -1.1942486983   2.2778672260
Cl   1.2480984284  -5.3331157893  -1.0020453994
O   -0.6484436201   0.8788986455   0.5810206000
O    0.0758372992   1.1963850085  -1.5190591332
N    1.5072521880   2.6673684104   0.4622173309
N    1.1924612848   3.1019796411   1.6858021331
N    1.0873432285   4.7846436644   0.2040587238
C    0.4098073987   0.6108675778  -0.2933149717
C   -1.7086673329   1.5263553275  -0.1184114982
C   -1.3366886915   1.2866697372  -1.5720463578
C   -3.0486882331   0.9502034612   0.2864413359
C    1.7097604740   1.2714514332   0.1828978126
C    0.6139532275  -0.8941100552  -0.4399405820
C   -4.2042937175   1.6478965290  -0.4223351740
C    0.6766366438  -1.7630559976   0.6485600169
C    0.7796506904  -1.4463999786  -1.7060567231
C   -5.5569872939   1.0828290109  -0.0188923338
C    0.8692013466  -3.1264519968   0.4854674131
C    0.9740005353  -2.8039504135  -1.8984695799
C    1.4265770960   3.6765343728  -0.4072865173
C    1.0114159244  -3.6348469684  -0.7936047177
C    0.9559675747   4.3700173211   1.4790134283
H   -1.6826410233   2.6006176166   0.1091948705
H   -1.7789563469   0.3581436517  -1.9547972774
H   -1.6075378396   2.1045033260  -2.2370797886
H   -3.1741507949   1.0500067999   1.3680121740
H   -3.0631549937  -0.1208379275   0.0606750052
H    2.4702836260   1.1674108939  -0.5907183232
H    2.0905749841   0.7976027561   1.0840390318
H   -4.0880993756   1.5575307709  -1.5065873453
H   -4.1727010886   2.7184729604  -0.2007649922
H    0.7563679213  -0.8043796395  -2.5749065022
H   -5.6381736140   0.0256843386  -0.2777196716
H   -5.7202413593   1.1721405171   1.0565336427
H   -6.3709633644   1.6072148337  -0.5203139691
H    0.9078958325  -3.7783104364   1.3469236909
H    1.0939817895  -3.1993086643  -2.8971300055
H    1.6443918066   3.5688395285  -1.4573944727
H    0.6851813546   5.0306654801   2.2875314271
*