! 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   5.3089859594   2.4943314704   0.4791991069
O   -2.4960088289  -1.1052806169   1.7261868948
N   -1.2505152115  -2.4886873049  -0.5859687963
N   -0.8997042441  -3.1158602562   0.5424067007
N    0.4569963056  -3.7213233494  -1.1310079471
C   -2.3140551228  -0.4873517749   0.4610170781
C   -3.5226583929   0.4951936981   0.3062327723
C   -0.9281761015   0.1999193742   0.4821572939
C   -2.3763485717  -1.5737926827  -0.6313114006
C   -3.6354389318   1.3968766996   1.5418706380
C   -3.3942478130   1.4038181410  -0.9188591715
C   -4.8419006756  -0.2795733221   0.1775544333
C   -0.2640318478   0.6336292665  -0.8321056881
C    1.1358487766   1.1046276669  -0.5541454583
C   -0.4319342685  -2.8575931206  -1.5680393682
C    2.1909440150   0.1991701250  -0.4733471615
C    1.4009544785   2.4484847979  -0.3080435330
C    0.1280024236  -3.8361803510   0.1663350289
C    3.4757946919   0.6151975286  -0.1585349406
C    2.6786894809   2.8857470957   0.0094489737
C    3.7071109111   1.9605048573   0.0823152511
H   -0.2381404045  -0.4913286506   0.9755513106
H   -0.9749141209   1.0659989800   1.1465052255
H   -3.2855295695  -2.1628433699  -0.5204080219
H   -2.3889207886  -1.1445840257  -1.6313672202
H   -3.8841294871   0.8412007253   2.4448620236
H   -4.4317793685   2.1266624071   1.3829551496
H   -2.7237104184   1.9640125244   1.7349108469
H   -3.1896152647   0.8605503562  -1.8431556783
H   -2.6227675067   2.1631992396  -0.7944746030
H   -4.3340068382   1.9388160685  -1.0695845669
H   -4.9730775551  -1.0139430291   0.9725688791
H   -5.6794767773   0.4179100405   0.2380740938
H   -4.9370500707  -0.7945583899  -0.7798678023
H   -0.8203261692   1.4334233140  -1.3162611271
H   -0.2258843230  -0.1873431663  -1.5488759905
H   -1.8812164986  -1.8523956262   1.7823053007
H   -0.5259259297  -2.4921169356  -2.5785397584
H    2.0142537400  -0.8541161060  -0.6605550289
H    0.5984435930   3.1740032527  -0.3644435419
H    0.6567942577  -4.4704797208   0.8599791363
H    4.2830649792  -0.1023106039  -0.1033463585
H    2.8647199330   3.9346026360   0.1964664653
*
