! 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   4.3085680627  -1.8944451641   0.0778628626
O   -1.6907593839  -0.3118634935  -2.2014788292
N   -0.6519553655   2.4658325649  -0.0175762544
N   -1.3814853597   2.7348035446   1.0692126055
N    0.7140688061   3.4960705169   1.3264325839
C   -2.3815750221  -1.7612003544   0.2161090387
C   -1.5068643751  -2.5930477096   1.0997026109
C   -2.9536322818  -2.4067828095   1.4411764899
C   -2.2692423270  -0.2514793221   0.1568977790
C   -1.2706861233   0.1825121857  -0.9468828418
C   -3.6595987560   0.3536641192  -0.0314769117
C   -1.1699431976   1.7206496881  -1.1362147293
C    0.1187663516  -0.3700067313  -0.6868201925
C    0.7428925874  -0.1756876358   0.5449102525
C    0.8277790506  -1.0429210467  -1.6768963462
C    2.0265368354  -0.6357425268   0.7878592579
C    2.1125896058  -1.5160467325  -1.4486477950
C    0.5904989982   2.9180904903   0.1559541017
C    2.7044391557  -1.3068297266  -0.2160306614
C   -0.5215077155   3.3506203111   1.8397388513
H   -2.6689790698  -2.2262060423  -0.7210422453
H   -0.7764349962  -2.0907574407   1.7200274315
H   -1.1813847533  -3.5579886422   0.7324500390
H   -3.6305261221  -3.2422856165   1.3161356751
H   -3.1913098158  -1.7675519296   2.2837232990
H   -1.8931667172   0.1020194077   1.1215097003
H   -3.6552344899   1.4423565435  -0.0040074961
H   -4.3119905668   0.0182459836   0.7748252110
H   -4.1348324945   0.0384360851  -0.9641670214
H   -2.1451110479   2.1324140391  -1.3970661710
H   -0.5060933046   1.9106897683  -1.9793872824
H   -2.5878815477  -0.0038169035  -2.3732117200
H    0.2292523916   0.3193688120   1.3586563640
H    0.3930799028  -1.2171695445  -2.6499038980
H    2.4837483782  -0.4739325297   1.7540667781
H    2.6397790674  -2.0427513585  -2.2323274027
H    1.3591020206   2.8217195708  -0.5939136583
H   -0.8014232641   3.7164249053   2.8150183088
*