! 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   5.5441322105  -0.0934380324   0.2546330171
O   -0.2047635844  -0.6491514988  -0.7367160559
O   -2.7862447896  -0.5611742149  -1.5727576591
N   -1.2628715524   1.3037555643   0.0195802583
N   -1.3297917110   2.0591076757   1.1232368390
N   -1.3613884747   3.3402257517  -0.7168024474
C   -3.3322870283  -1.5795968862   0.5370803741
C   -2.5006815575  -0.7643336505  -0.4207942066
C   -1.1887679289  -0.1373522877   0.1066592133
C   -2.4705789015  -2.7113524059   1.1125824256
C   -3.7995825556  -0.6480802580   1.6654219126
C   -4.5395870886  -2.1656492454  -0.1851028675
C    1.1160514261  -0.4730349545  -0.4295348939
C   -1.2810634766   2.0817942826  -1.0689447160
C    1.5847133040   0.2163605998   0.6799415959
C    2.0114672527  -1.0474441909  -1.3256593543
C   -1.3921854980   3.2661506255   0.6293943339
C    2.9537948288   0.3293720681   0.8878563329
C    3.3728935817  -0.9346973386  -1.1163083439
C    3.8382862800  -0.2427361442  -0.0072347590
H   -1.0062748757  -0.3729048414   1.1572462524
H   -3.0853443291  -3.3260164845   1.7703657883
H   -2.0761096518  -3.3569354995   0.3275993660
H   -1.6327591804  -2.3511031533   1.7100462926
H   -4.4152931264  -1.2169488228   2.3628608803
H   -4.4036103273   0.1749883795   1.2818583155
H   -2.9752193886  -0.2248403029   2.2404160576
H   -4.2440338132  -2.8404325542  -0.9889838736
H   -5.1782118404  -1.3910357645  -0.6092326928
H   -5.1424279080  -2.7388005429   0.5198440921
H   -1.2229699934   1.7073120644  -2.0773193771
H    0.9260398201   0.6795525241   1.4008564380
H    1.6408209145  -1.5855788279  -2.1879127528
H   -1.4572864418   4.1328571082   1.2671500089
H    3.3135161338   0.8698968733   1.7521005904
H    4.0616541864  -1.3853704856  -1.8169713082
*