! 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   2.1653927539  -0.6740765002  -1.9624431944
Cl   0.7604664760  -5.4192384792   0.0034392366
O   -0.8488396834   0.9534350210   0.9796406441
O    0.0201134020   1.1727716378  -1.0708009247
N    1.4217947232   2.6417135559   0.8911624198
N    1.9193639451   3.4345899552  -0.0611332885
N    0.8142362690   4.6459820029   1.4708046820
C    0.2501388939   0.6051608969   0.1811647456
C   -1.8953494699   1.4819521101   0.1618757324
C   -1.3843603236   1.1993358934  -1.2441374640
C   -3.2258472872   0.8403137720   0.4925527506
C    1.5088578677   1.2084276615   0.8122580568
C    0.3849841075  -0.9151229487   0.1040150549
C   -4.3689885347   1.4615222678  -0.3025356809
C    1.2141443757  -1.5565114681  -0.8158442763
C   -0.3114185745  -1.7207295693   1.0000101221
C   -5.7166003545   0.8547841883   0.0550100274
C    1.3333383912  -2.9376319613  -0.8559992606
C   -0.2092914489  -3.1015039934   0.9849760272
C    0.7580828527   3.3754705216   1.7857951665
C    0.6146174663  -3.6988530476   0.0484938948
C    1.5353518071   4.6189573572   0.3342130169
H   -1.9524165562   2.5631788236   0.3374772106
H   -1.7565691384   0.2389278800  -1.6239811492
H   -1.6314070726   1.9774365554  -1.9638704985
H   -3.4258377496   0.9576389316   1.5611809135
H   -3.1724658562  -0.2350684171   0.2937975576
H    2.4015810422   0.9530904503   0.2472199428
H    1.6297971546   0.8034176846   1.8163657287
H   -4.1913267873   1.3383439089  -1.3750885115
H   -4.3933514455   2.5395980268  -0.1194817959
H   -0.9560758147  -1.2634501897   1.7361297787
H   -6.5239407130   1.3197619630  -0.5114265408
H   -5.7392160595  -0.2154427051  -0.1572044893
H   -5.9406666370   0.9850768992   1.1152497824
H    1.9800779557  -3.4077416466  -1.5835073593
H   -0.7670881276  -3.6949939151   1.6953287307
H    0.2752137863   2.9540216346   2.6521605989
H    1.7920331821   5.5080319321  -0.2197729308
*