! 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  -0.2213192121  -0.2957128342  -2.0049543059
Cl   4.9526709056  -0.0253523120  -0.8336014698
O   -1.6895954066  -0.5203182152   0.4702762157
O   -0.7982412840  -0.1234381792   2.4599106858
N   -1.1779353208   2.3503543098  -0.2024078753
N   -2.1999403869   2.2821338980  -1.0603985529
N   -0.4473753185   3.3188739856  -2.0056971760
C   -0.7678062417   0.2879284657   1.1179785226
C   -1.5458957757  -1.8210157556   1.0303346272
C   -1.0806653444  -1.5181917677   2.4651616038
C   -2.8579980950  -2.5679108105   0.9325978189
C   -1.2327814313   1.7474121639   1.1020164765
C    0.6531998178   0.1499906487   0.5612724476
C   -2.7463825843  -3.9977247988   1.4481475538
C    0.9753180948  -0.0814014678  -0.7756998191
C    1.7153432984   0.3387213992   1.4443818487
C   -4.0650235607  -4.7477121955   1.3433902543
C    2.2939991736  -0.1405015342  -1.2078754400
C    3.0370205132   0.2914310347   1.0394235213
C   -0.1428009147   2.9604384049  -0.7834775336
C    3.3133961682   0.0463327727  -0.2939423909
C   -1.7129545848   2.8726663867  -2.1192607142
H   -0.7676356280  -2.3731481623   0.4880770683
H   -1.8597015300  -1.7059970380   3.2071518934
H   -0.1950478985  -2.0958540444   2.7375800130
H   -3.1806772197  -2.5871657192  -0.1120646594
H   -3.6241534292  -2.0268163492   1.4968401904
H   -0.6030159495   2.3284351583   1.7735468435
H   -2.2571507616   1.8049689565   1.4659615561
H   -2.4141664967  -3.9964842544   2.4904199569
H   -1.9758840725  -4.5289342303   0.8827712987
H    1.5097450117   0.5314033231   2.4879375351
H   -4.4028073362  -4.8109560339   0.3075353779
H   -3.9751334503  -5.7655053884   1.7234732252
H   -4.8497709512  -4.2503600645   1.9159547793
H    2.5142162455  -0.3252306718  -2.2500419185
H    3.8317234575   0.4433935466   1.7559112287
H    0.7914814882   3.1428553784  -0.2755225445
H   -2.3014409418   2.9973610291  -3.0146272835
*