! 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  -2.1202741783   1.1461098029   3.0995837274
Cl   3.7601971291   0.5120031915  -3.8562772135
Cl  -3.0554626279   4.8226313057  -0.6982002092
S    0.7968821538  -2.2636682203   1.7829437577
N   -1.7169038079  -2.7275239186   0.2728617096
N    0.0550068997   0.1887117040   1.2178378063
N   -1.3534070245  -2.7081602389  -1.0105397653
N   -1.6177746800  -4.8198080337  -0.2934676346
C   -1.7326668191  -1.5204072943   1.0527677235
C    2.3747706443  -1.3725733635   1.6821441340
C   -0.3318219863  -1.0097253085   1.3103360794
C    2.7075797952  -0.9084621660   0.2947415662
C    2.9956326138   0.4299817472   0.0545697487
C    2.7496175080  -1.8014684629  -0.7713801209
C   -0.7466331817   1.2308274110   0.7727770855
C    3.3244725350   0.8763040913  -1.2170639319
C    3.0741048577  -1.3741580938  -2.0489967071
C   -1.8541855000  -3.9871120683   0.6883254222
C   -1.7530433121   1.8095718963   1.5462532065
C   -0.4726458442   1.8020714143  -0.4702288187
C    3.3573294837  -0.0334728266  -2.2604387589
C   -2.4661935693   2.9140556737   1.1055948667
C   -1.1802000721   2.8943546195  -0.9344772158
C   -2.1728444256   3.4449966629  -0.1377072853
C   -1.3177634637  -3.9806079044  -1.3023008094
H   -2.2258817968  -1.7335325436   2.0017241971
H   -2.3263667204  -0.7684592811   0.5350022552
H    3.1054201562  -2.1021047412   2.0382258905
H    2.3712476874  -0.5456769624   2.3902742593
H    2.9619653560   1.1439458536   0.8669802156
H    2.5208169834  -2.8479605872  -0.6137351777
H    3.5430774515   1.9217923905  -1.3858592015
H    3.1044150119  -2.0805622337  -2.8671747524
H   -2.1364765558  -4.2438412496   1.6970205222
H    0.3168533218   1.3755352197  -1.0748787650
H   -3.2398175761   3.3446736047   1.7261810455
H   -0.9513855710   3.3120399692  -1.9048027389
H   -1.0647088679  -4.3231710489  -2.2930432744
*