! 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   4.4044561665  -1.4013236581   0.1644232600
O   -1.9119177464   0.2635240330  -1.3119356794
N   -0.6250941353   2.4211034901   0.3126709545
N   -0.5770372271   2.7961801205  -0.9705213659
N    1.1922291746   3.6007580426   0.1417453602
C   -2.1489372952  -2.2948857170  -0.0463477111
C   -3.0777773488  -3.4525600812   0.1612644866
C   -3.0538930450  -2.7304665505  -1.1521387368
C   -2.3090934668  -0.9743999839   0.6866855902
C   -1.4447718433   0.1166761385   0.0071522981
C   -3.7596898004  -0.5334128121   0.8569890880
C   -1.6013635292   1.4573479051   0.7623103499
C    0.0282957092  -0.2807985381   0.0350078827
C    0.6926078761  -0.4417166478   1.2502583301
C    0.7502701180  -0.4725659920  -1.1364995344
C    2.0331398219  -0.7857943435   1.3008797580
C    2.0945488636  -0.8173791667  -1.1056688488
C    0.4423435459   2.8909443550   0.9526719445
C    2.7264425560  -0.9709853575   0.1151299244
C    0.5256483105   3.5012391518  -1.0205118467
H   -1.1114120129  -2.5867275185  -0.1722540881
H   -3.9475195626  -3.3258221246   0.7937740667
H   -2.6422906402  -4.4424345628   0.2137171384
H   -2.6107142096  -3.2270378449  -2.0062125112
H   -3.9060527810  -2.1108002580  -1.4006392167
H   -1.8948961258  -1.1168785308   1.6910337415
H   -3.8440082993   0.3016142058   1.5518277431
H   -4.3654453026  -1.3349001094   1.2789008458
H   -4.2189186185  -0.2287408704  -0.0831443476
H   -1.4679457768   1.3336759239   1.8359925567
H   -2.5966612228   1.8691876884   0.5998997954
H   -1.5437681894   1.0832253561  -1.6756115648
H    0.1699188253  -0.3019566022   2.1887828078
H    0.2711424958  -0.3660778551  -2.0995026770
H    2.5272289992  -0.9052184070   2.2553826664
H    2.6364962334  -0.9640026182  -2.0301056036
H    0.6221845236   2.7125028283   2.0007228996
H    0.8563999225   3.9684940926  -1.9346766697
*