! 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  -0.0578064245  -0.3691322401   2.1854279401
Cl   4.4751148607   1.2059240853  -0.1524772098
N   -1.3299376119  -1.8056051786  -0.7290915755
N   -1.9852220756  -2.5000027943   0.2037778752
N    0.0455581485  -3.3872117058  -0.1508968318
C   -1.5325544072   0.6355550510  -0.3773159337
C   -2.2240931858   1.8959207678  -0.9117557076
C   -1.8577150178  -0.5722365690  -1.2649799361
C   -0.0352203219   0.7996290836  -0.2764770857
C   -3.7453920522   1.8962650429  -0.7737398972
C    0.7119510547   0.3680970371   0.8179320934
C    0.6809081679   1.3489263028  -1.3399112512
C   -4.2383639991   1.8225518590   0.6642075116
C    2.0934957944   0.4913320638   0.8722451631
C    2.0579220848   1.4812578141  -1.3225671420
C   -0.1218861517  -2.3356748705  -0.9162924457
C    2.7539800455   1.0503550304  -0.2056252809
C   -1.1231736660  -3.4326437928   0.5135960775
H   -1.9274235403   0.4282490489   0.6184272788
H   -1.8250162398   2.7606118307  -0.3747746857
H   -1.9668953577   2.0431920860  -1.9641568059
H   -1.4439141862  -0.4348424268  -2.2643749320
H   -2.9333419488  -0.6969401233  -1.3731443006
H   -4.1153106877   2.8174360321  -1.2297898340
H   -4.1870281796   1.0839998837  -1.3568561140
H    0.1499431190   1.6840356978  -2.2213867284
H   -5.3201340994   1.9508173972   0.7122173733
H   -3.7864444603   2.6050718550   1.2768768580
H   -4.0125870986   0.8645272864   1.1351281873
H    2.6399338065   0.1508055277   1.7405243977
H    2.5745934356   1.9136133018  -2.1678277007
H    0.5860780426  -1.9445977018  -1.6302113758
H   -1.3521223348  -4.1885867779   1.2482863709
*