! 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   0.3839275302   0.5291146148  -2.2682115285
Cl  -3.4204666749   3.3125828592   0.1764724165
O    1.2599596696  -1.0181484087   2.0032465485
N   -0.3964325069  -2.3553035801  -0.0934892333
N   -0.9054976601  -2.6784583614   1.1008650472
N   -2.5158113478  -2.6743780837  -0.4543080106
C    1.1864974985  -0.6235081578   0.6510992196
C    2.5299741267   0.0433334706   0.3291480785
C    0.9655402493  -1.8883026408  -0.2072118839
C    3.7418103271  -0.8819065316   0.4091602096
C    0.0375265086   0.3824162729   0.4640510164
C    5.0641341780  -0.1253830923   0.3142551336
C   -0.3804188619   0.9219660479  -0.7551647837
C   -0.6634070322   0.8149151993   1.5895510333
C    5.2836257268   0.5782238179  -1.0172434077
C   -1.4363032996   1.8166978146  -0.8542031447
C   -1.7176998688   1.7091987811   1.5259881363
C   -1.3697880838  -2.3403885755  -1.0010387907
C   -2.1019298255   2.2021994472   0.2938004590
C   -2.1737509854  -2.8615637181   0.8312593440
H    2.6563381700   0.8701748495   1.0352626373
H    2.4800036427   0.4974881002  -0.6600147638
H    1.6363432419  -2.6751989090   0.1361726901
H    1.1732047558  -1.7278869065  -1.2603235078
H    3.7231691586  -1.4389549808   1.3479721998
H    3.7047992471  -1.6247088710  -0.3939548847
H    5.8806304164  -0.8320870174   0.4821878325
H    5.1218314399   0.6029664395   1.1287572411
H    0.5239158483  -1.6220372752   2.1895165312
H   -0.3777465408   0.4477830763   2.5636198318
H    5.2196316538  -0.1252290734  -1.8499930431
H    4.5499395316   1.3658039030  -1.1947826175
H    6.2689699371   1.0442159264  -1.0572767250
H   -1.7309148129   2.2038272277  -1.8194440180
H   -2.2270499307   2.0083338711   2.4311650227
H   -1.2025386726  -2.1059375604  -2.0401923255
H   -2.8777672916  -3.1481517988   1.5962487421
*
