! 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   4.8264000971   4.5579221543  -0.7402616491
O   -1.0796429602  -0.8513995073   1.7282930896
N   -1.9017431175  -3.1633369793   0.0559482625
N   -1.9431560714  -3.5481538132   1.3356684857
N   -3.3473854213  -4.7862018987   0.1083887116
C   -1.3388372824  -0.7192702510   0.3422689505
C   -2.7933521693  -0.1617255509   0.1086605660
C   -0.2891918982   0.2820488124  -0.1739786927
C   -1.0642746634  -2.0620768489  -0.3668088617
C   -3.8528577337  -0.9111492002   0.9302497392
C   -2.8696178974   1.3065172742   0.5513043708
C   -3.1934476288  -0.2341464129  -1.3678246123
C    1.1708346786  -0.1867768750  -0.1195135962
C    2.1072877923   0.9775691158  -0.2768691432
C   -2.7433873531  -3.9061893013  -0.6581173658
C    2.6990518713   1.2708674360  -1.5012268116
C    2.3739850122   1.8196772551   0.8013910214
C   -2.8255998899  -4.5170076049   1.3166991792
C    3.5357792457   2.3681822175  -1.6545279182
C    3.2062695725   2.9198756297   0.6700870993
C    3.7814835737   3.1849260179  -0.5635768183
H   -0.3712598302   1.1836229351   0.4351590784
H   -0.5244902934   0.5838748552  -1.1969574174
H   -1.1745414404  -1.9650465894  -1.4452231931
H   -0.0337142291  -2.3616683815  -0.1790391518
H   -4.8179734832  -0.4205018854   0.7917392315
H   -3.6425877862  -0.8894360410   1.9999588377
H   -3.9999571658  -1.9475544342   0.6321708537
H   -3.9061260344   1.6455672022   0.5145954243
H   -2.2981004507   1.9744404851  -0.0927791865
H   -2.5211009509   1.4452918178   1.5758945564
H   -2.4707721295   0.2530217290  -2.0244213750
H   -3.3263365810  -1.2576156165  -1.7223420739
H   -4.1498236100   0.2708286728  -1.5172301085
H    1.3759298680  -0.9135976202  -0.9069488378
H    1.3680366348  -0.6838382466   0.8326933193
H   -1.4641280929  -1.6817102181   2.0430336699
H   -2.8764665811  -3.7866375939  -1.7216271481
H    2.5112081808   0.6330036572  -2.3563397757
H    1.9268287674   1.6139676149   1.7668493622
H   -3.0949729087  -5.0532460897   2.2130029455
H    3.9889308836   2.5779396590  -2.6139382000
H    3.4033377877   3.5594525650   1.5198373845
*
