! 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  -4.5078223943  -1.8919970458   0.5483676128
Cl  -1.2696375201   1.0944053162  -1.0017337893
O    2.6462019864   1.6253869903  -1.2277310511
N    1.5522436824   0.3621481162   0.3172798965
N   -1.3996868611   3.5320596715  -0.1328417592
C    1.4588110680  -2.0458084811   0.0519380844
C    2.2130927759  -0.8674047281   0.1176267826
C   -0.0157540957  -2.0251092229   0.1899492215
C    2.1164208518  -3.2518720412  -0.1713925969
C    3.5967869750  -0.9164833094  -0.0188233179
C   -0.6221008335  -1.6645218009   1.3909613156
C   -0.8236434341  -2.3619811390  -0.8923535580
C    3.4929290273  -3.2994577795  -0.3261100793
C    4.2310388453  -2.1281486591  -0.2441344657
C    1.7503801753   1.4771898976  -0.4159914300
C    0.8003027771   2.5951233871  -0.1207476553
C   -2.0024897901  -1.6201414849   1.5094926213
C   -2.2052864854  -2.3262154029  -0.7887699591
C   -2.7822317557  -1.9486293417   0.4132479535
C    1.3101064100   3.8016259071   0.3409074880
C   -0.5710156473   2.5404353067  -0.3503812063
C    0.4479257128   4.8548782061   0.5901883739
C   -0.8997551296   4.6686762145   0.3416690002
H    1.5355424537  -4.1639438644  -0.2231197702
H    4.1846361125  -0.0140387270   0.0623143951
H    0.7329860970   0.3494711310   0.9062543206
H   -0.0165451111  -1.4251630263   2.2571421699
H   -0.3733792141  -2.6432662355  -1.8353973426
H    3.9849483077  -4.2466027716  -0.5009486726
H    5.3073153624  -2.1528825067  -0.3489965433
H   -2.4576659759  -1.3372962445   2.4485438521
H   -2.8203690390  -2.5842898419  -1.6398730325
H    2.3724420297   3.9076620710   0.5170202562
H    0.8117087872   5.8003444185   0.9643574534
H   -1.6104481541   5.4644713195   0.5222657524
*