! 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  -6.5456066247   4.5616506950   0.7948010415
O    1.7609086672   0.8674555914   0.8385225211
O    1.0349510140  -3.1535902361   0.2045929268
N    2.2448303943  -1.2341168606   0.1793301596
N    3.2253770258  -3.2904905581  -0.3817909614
N    4.4350021946  -4.6482393763  -1.6219459299
C    1.1357977455  -0.3879651443   0.7119100944
C    3.4012162273  -0.3895283144  -0.2174633424
C    2.7039630609   0.9719320403  -0.2014032426
C   -0.0248091619  -0.3113187794  -0.2898352864
C    0.6966906028  -0.8206956663   2.1000056570
C    4.5148859945  -0.4071931067   0.8253965893
C    3.9478597828  -0.6693042664  -1.6100212339
C   -1.1263610109   0.6557873241   0.1290963351
C    2.0728534694  -2.5465367916   0.0259704599
C   -2.1973919859   0.7819581429  -0.9554883095
C   -3.2969238585   1.7195587541  -0.5474560060
C    4.2633629519  -3.7146262137   0.4119888811
C    3.3695548278  -3.8995349146  -1.5858629832
C   -4.4161046987   1.2547580882   0.1385168638
C   -3.2030703837   3.0855753644  -0.8020237916
C    4.9969231482  -4.5457260303  -0.3763648942
C   -5.4180020159   2.1185763449   0.5560332790
C   -4.1935600773   3.9665146241  -0.3934260389
C   -5.2965219023   3.4718381864   0.2841227136
H    3.3926177307   1.7857698353   0.0217845397
H    2.2266497244   1.1862862405  -1.1653497763
H   -0.4511771550  -1.3055578456  -0.4215731543
H    0.3619616322  -0.0132010687  -1.2690891639
H    0.1159474162  -0.0267760471   2.5685426265
H    1.5587802192  -1.0223860542   2.7358210159
H    0.0724656507  -1.7097024338   2.0686111095
H    5.0314629605  -1.3640264078   0.8573837589
H    4.1385781690  -0.1864149065   1.8244343829
H    5.2582781018   0.3493600138   0.5717668576
H    3.1494785255  -0.8440411678  -2.3317729858
H    4.5071330647   0.2063062270  -1.9437233848
H    4.6381121239  -1.5103310340  -1.6358423823
H   -1.5998648074   0.3155846472   1.0536021798
H   -0.7086274519   1.6442627700   0.3351761461
H   -2.6142044479  -0.2052806442  -1.1699218766
H   -1.7346680532   1.1353311176  -1.8803750489
H    4.3620805988  -3.4271950385   1.4449150887
H    2.6754237922  -3.7403079750  -2.3963408632
H   -4.5160205627   0.1969554566   0.3500693913
H   -2.3436911712   3.4756275934  -1.3340904800
H    5.8944196476  -5.0802795192  -0.1098181737
H   -6.2821015232   1.7370491116   1.0829232613
H   -4.1044451181   5.0234254080  -0.6052261370
*