! 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   5.2097912103   0.5702539422   1.2035094388
O   -1.1845027817   0.4141774476   1.3679886637
N   -0.3622904725  -1.7072506516  -0.4500208366
N    0.4449408279  -1.6930896707   0.6177987751
N    1.4179551298  -2.7941755496  -1.0675438175
C   -1.8176384122   0.2702971987   0.1166944372
C   -3.3123956648   0.6501878155   0.2821285119
C   -1.3529505363   1.3312255904  -0.9159615665
C   -3.7784317148   1.0065261859  -1.1348139814
C   -2.5222355978   1.4425516197  -1.9021283509
C   -4.2548121747  -0.3326299126   0.9891227612
C   -1.7113104484  -1.1762524806  -0.3933136912
C   -0.0464054088   1.1637509629  -1.6879158547
C   -3.8068785934  -0.7262685386   2.3935158739
C   -5.6602558384   0.2644099352   1.0582379998
C    1.2496759825   1.0471726986  -0.9309452977
C    0.2338992636  -2.3656325840  -1.4417147638
C    2.2967808516   0.3307174212  -1.5049899713
C    1.4770812171   1.6568931656   0.3003598729
C    3.5179867076   0.1848159090  -0.8671647156
C    2.6899800416   1.5175608284   0.9592317493
C    1.5019023571  -2.3400468301   0.1936722621
C    3.6988476611   0.7714018562   0.3734939411
H   -3.2984358323   1.5718975626   0.8797264011
H   -1.3001270910   2.2673659137  -0.3487143005
H   -4.5399445402   1.7851508780  -1.1189397813
H   -4.2385898392   0.1359156922  -1.6101842881
H   -2.3520654538   0.7916306511  -2.7636367123
H   -2.6025506183   2.4559950051  -2.2961293881
H   -4.3255453259  -1.2437544888   0.3826051986
H   -2.1269029303  -1.2672781646  -1.3968562959
H   -2.2892352775  -1.8406013833   0.2491675331
H    0.0281114056   2.0338084544  -2.3504609400
H   -0.1295669729   0.3111083551  -2.3672311056
H   -0.3597672477  -0.0952643046   1.3697766191
H   -4.5543543502  -1.3723741945   2.8577964255
H   -2.8612822283  -1.2649441991   2.4050415330
H   -3.6921367042   0.1527892061   3.0310622072
H   -5.6573375061   1.2149643644   1.5977259813
H   -6.3411768992  -0.4085916719   1.5820358519
H   -6.0835587210   0.4457469730   0.0701344108
H   -0.2288100980  -2.5221402949  -2.4031571852
H    2.1563896800  -0.1388286718  -2.4708608722
H    0.7033632303   2.2466102586   0.7722550717
H    4.3087189983  -0.3893187461  -1.3304962065
H    2.8405820440   1.9867648811   1.9221067969
H    2.3591997055  -2.4965948246   0.8283277071
*