! 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   5.9508835517   0.1020487318  -0.2400020081
O   -2.6755756602   0.2569101297   1.6627249723
N   -2.1921891115  -1.8292722861  -0.3560221320
N   -2.1913836947  -2.4497188271   0.8308917761
N   -0.6377110817  -3.3416921177  -0.5132468795
C   -3.1373044011   1.8654128464  -0.0992100713
C   -2.4449501926   0.5385936366   0.3061640957
C   -2.4033646312   2.2180304959  -1.3995203070
C   -0.9875556269   0.7905987357  -0.0562658974
C   -0.9448981295   1.7929038301  -1.1772221111
C   -2.9652900043  -0.6301448681  -0.5655358103
C   -2.8528936721   2.9362363869   0.9573254253
C   -4.6441737378   1.7503284491  -0.2913168205
C    0.0175565896   0.1741917842   0.5723639498
C    1.4568304607   0.2238469011   0.3252592817
C   -1.2479217740  -2.3568030192  -1.1305812445
C    2.0853931866   0.9936665442  -0.6601533585
C    2.2740888996  -0.5807777086   1.1293377454
C   -1.2468775668  -3.3464985938   0.6833878165
C    3.4597287348   0.9605632728  -0.8328911941
C    3.6471802924  -0.6268313739   0.9678981063
C    4.2336704631   0.1492865700  -0.0190914952
H   -2.4930848706   3.2784122704  -1.6376525313
H   -2.8351038961   1.6746378936  -2.2432047729
H   -0.3274674828   2.6493974670  -0.8950466776
H   -0.4999827499   1.3813420191  -2.0867209201
H   -2.9106480778  -0.3956294739  -1.6265821399
H   -4.0064936610  -0.8457846645  -0.3275717794
H   -1.7884766556   3.0477043090   1.1740617001
H   -3.2141953441   3.9028945064   0.6020898392
H   -3.3612232362   2.7255401521   1.8982854481
H   -4.9164632245   1.0874157902  -1.1137264449
H   -5.1368430122   1.3873382506   0.6128556833
H   -5.0676414196   2.7297593854  -0.5205030507
H   -2.5203305774  -0.6856385806   1.8247597918
H   -0.2445883205  -0.4861933296   1.3945362511
H   -1.0519283350  -2.0079366989  -2.1318761819
H    1.5171700963   1.6324629105  -1.3176175531
H    1.8232498740  -1.1917840300   1.9016189609
H   -0.9964743829  -4.0360624545   1.4739507474
H    3.9188749253   1.5652444155  -1.6030517487
H    4.2485633522  -1.2619301654   1.6038117521
*