! 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   0.6876433048   2.1648128320   1.0970109768
Cl   5.0542915639  -0.0128973153  -1.0048907033
O   -1.1616241870  -1.8730006399   0.3072292574
O   -1.3109699251   0.0972287127   1.3486445157
N   -1.4469585354   1.3931561972  -1.3201501501
N   -2.1498534306   2.3638253043  -0.7314442498
N   -0.5904732187   3.2357579055  -2.0902149839
C   -0.8613473002  -0.5061809453   0.1815992702
C   -1.4578834346  -2.1691735306   1.6767902814
C   -1.1074331136  -0.8595897954   2.3743602527
C   -2.9124593778  -2.5735339890   1.8301489623
C   -1.6653350596   0.0035998478  -1.0204837977
C    0.6439417490  -0.3335764544  -0.0453048161
C   -3.3012546528  -3.7938347718   1.0062179827
C    1.3836049092   0.7960661951   0.3018954436
C    1.3226305267  -1.3519157350  -0.7138792281
C   -4.7546018709  -4.1901908737   1.2151248793
C    2.7395059351   0.8966323398   0.0147910953
C    2.6687638156  -1.2737542197  -1.0197295935
C   -0.5183917516   1.9285839964  -2.1150036164
C    3.3696234575  -0.1410500709  -0.6444361390
C   -1.6000113310   3.4417658300  -1.2232955375
H   -0.8049858875  -2.9823272045   2.0055529698
H   -1.7618295448  -0.6207373770   3.2114359617
H   -0.0704000551  -0.8501600444   2.7276460132
H   -3.5583685700  -1.7265858332   1.5734108669
H   -3.0844811016  -2.7828659564   2.8905272283
H   -2.7276404513  -0.1449935898  -0.8303718834
H   -1.3975480044  -0.5808125325  -1.8998032754
H   -2.6507191828  -4.6326875267   1.2714834219
H   -3.1305211167  -3.5949171704  -0.0541246660
H    0.7869960672  -2.2422879282  -1.0107854514
H   -5.4300760170  -3.3799893978   0.9343523628
H   -5.0201168032  -5.0608328706   0.6144324386
H   -4.9548003526  -4.4372371612   2.2592414730
H    3.2897868098   1.7810271486   0.3038418160
H    3.1568292724  -2.0862494400  -1.5388611497
H    0.1615502535   1.3345937935  -2.7054511624
H   -1.9503862813   4.4254456808  -0.9531857632
*