! 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  -0.2380889488   1.1433510332   1.7785987584
Cl   4.1051285863   2.2356885627   1.8935104587
Cl  -1.2313199401   4.1891432555  -2.5220383374
S    0.3959392287  -2.6827423108  -1.5552175946
N   -2.1355954090  -3.2542850693   1.4103081091
N   -1.1478223886  -1.0785732497   0.1127787125
N   -3.3035123704  -3.7313788161   0.9681002158
N   -3.6013843018  -2.5149119645   2.8307482938
C   -0.9303169034  -3.3926270841   0.6476337723
C    1.3090246501  -1.2302144145  -2.1398816013
C   -0.6596515546  -2.1869110745  -0.2325899307
C    1.9799529691  -0.3944629295  -1.0892013857
C    2.5314388994  -0.9367861477   0.0660253270
C    2.0989784444   0.9741755840  -1.3067596999
C   -1.1060931172   0.1254395788  -0.5605220787
C    3.1897283480  -0.1348473723   0.9848169335
C    2.7530828387   1.7902885573  -0.3987029414
C   -2.3331446353  -2.5206405068   2.5042358225
C   -0.7620071380   1.2822065593   0.1443560900
C   -1.5205692667   0.2678739045  -1.8835862229
C    3.2936236216   1.2247639224   0.7437195903
C   -0.7933584466   2.5305207100  -0.4479509532
C   -1.5657757359   1.5103210114  -2.4931654577
C   -1.1949489809   2.6317329138  -1.7700390835
C   -4.1421439302  -3.2702992055   1.8563047512
H   -0.9979712159  -4.3090301361   0.0623078744
H   -0.0849368771  -3.5140172501   1.3267482241
H    0.6759414401  -0.6188982329  -2.7803236558
H    2.0598611418  -1.6867900287  -2.7910508966
H    2.4538369735  -1.9983041601   0.2644309283
H    1.6703840770   1.4187184272  -2.1966785455
H    3.6110730124  -0.5708022193   1.8799951028
H    2.8292315026   2.8534256017  -0.5800192623
H   -1.5339658450  -2.0243299347   3.0296186170
H   -1.8289963474  -0.6070156504  -2.4415895710
H   -0.4999906089   3.4072473529   0.1120973539
H   -1.8887044323   1.5946293620  -3.5212043605
H   -5.1962556205  -3.4913382045   1.8013109655
*